SCHEMBL17619899

SCHEMBL17619899

N=C(N)NCCCC(NC(=O)c1ccc(-c2ccccc2)[nH]1)C(=O)NN1CCOCC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ WNT3A P56704 1/20 0.38
▸ TACR2 P21452 3/20 0.38
▸ GAA P10253 1/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HTT P42858 2/20 0.35
▸ MMP1 P03956 1/20 0.34
▸ MMP3 P08254 1/20 0.34
▸ MMP9 P14780 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ CD274 Q9NZQ7 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HIF1A Q16665 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17619932 0.93 SMN1; SMN2 (0.38) MEN1KMT2AALDH1A1LMNACD274
SCHEMBL20791913 0.93 CYP2D6 (0.38) WNT3AGAAKDM4EMEN1KMT2A
SCHEMBL20791900 0.91 KDM4E (0.36) WNT3ATACR2GAAKDM4ELMNA
SCHEMBL21546370 0.88 GAA (0.42) WNT3ATACR2GAAKDM4EMEN1
SCHEMBL18591496 0.84 POLB (0.33) TACR2GAAKDM4EMEN1KMT2A
SCHEMBL18591492 0.83 KDM4E (0.34) KDM4EHPGD
SCHEMBL17620032 0.82 HRH4 (0.36) KMT2ALMNA
SCHEMBL17619962 0.82 PADI4 (0.38) —
SCHEMBL22260620 0.77 GRIN1 (0.35) —
SCHEMBL17620030 0.77 GRIN1 (0.35) —

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11571409-B2 Substituted phenylpyrrolecarboxamides with therapeutic activity in HIV NEW YORK BLOOD CENTER, INC. (US) 2023-02-07 — — US disclosed
US-20210340126-A1 SUBSTITUTED PHENYLPYRROLECARBOXAMIDES WITH THERAPEUTIC ACTIVITY IN HIV THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2021-11-04 — — US disclosed
US-11059808-B2 Substituted phenylpyrrolecarboxamides with therapeutic activity in HIV NEW YORK BLOOD CENTER, INC. (US) 2021-07-13 — — US disclosed
US-20210093608-A1 SUBSTITUTED PHENYLPYRROLECARBOXAMIDES WITH THERAPEUTIC ACTIVITY IN HIV THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, 2021-04-01 — — US disclosed
US-10869856-B2 Substituted phenylpyrrolecarboxamides with therapeutic activity in HIV NEW YORK BLOOD CENTER, INC. (US) 2020-12-22 — — US disclosed
US-20200231571-A1 SUBSTITUTED PHENYLPYRROLECARBOXAMIDES WITH THERAPEUTIC ACTIVITY IN HIV THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2020-07-23 — — US disclosed
US-20200163935-A1 SUBSTITUTED PHENYLPYRROLECARBOXAMIDES WITH THERAPEUTIC ACTIVITY IN HIV NEW YORK BLOOD CENTER, INC. 2020-05-28 — — US disclosed
US-10576059-B2 Substituted phenylpyrrolecarboxamides with therapeutic activity in HIV NEW YORK BLOOD CENTER, INC. (US) 2020-03-03 — — US disclosed
US-20190343797-A1 SUBSTITUTED PHENYLPYRROLECARBOXAMIDES WITH THERAPEUTIC ACTIVITY IN HIV NEW YORK BLOOD CENTER, INC. 2019-11-14 — — US disclosed
EP-3194030-B1 SUBSTITUTED PHENYLPYRROLECARBOXAMIDES WITH THERAPEUTIC ACTIVITY IN HIV NEW YORK BLOOD CENTER INC (US) 2019-11-06 — — EP disclosed
US-10413527-B2 Substituted phenylpyrrolecarboxamides with therapeutic activity in HIV NEW YORK BLOOD CENTER, INC. (US) 2019-09-17 — — US disclosed
US-20190070146-A1 SUBSTITUTED PHENYLPYRROLECARBOXAMIDES WITH THERAPEUTIC ACTIVITY IN HIV THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, 2019-03-07 — — US disclosed
US-20170273943-A1 SUBSTITUTED PHENYLPYRROLECARBOXAMIDES WITH THERAPEUTIC ACTIVITY IN HIV NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-09-28 — — US disclosed
WO-2017035127-A1 SUBSTITUTED PHENYLPYRROLECARBOXAMIDES WITH THERAPEUTIC ACTIVITY IN HIV NEW YORK BLOOD CENTER, INC. (US) 2017-03-02 — — WO disclosed
WO-2016044808-A1 SUBSTITUTED PHENYLPYRROLECARBOXAMIDES WITH THERAPEUTIC ACTIVITY IN HIV NEW YORK BLOOD CENTER, INC. (US) 2016-03-24 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10576059-B2 Substituted phenylpyrrolecarboxamides with therapeutic activity in HIV PAH, NPEPPS, DNPEP WNT3A 4705/4885TACR2 4647/4885GAA 725/4885
US-20210093608-A1 SUBSTITUTED PHENYLPYRROLECARBOXAMIDES WITH THERAPEUTIC ACTIVITY IN HIV PAH, NPEPPS, DNPEP WNT3A 4705/4885TACR2 4647/4885GAA 725/4885
US-10413527-B2 Substituted phenylpyrrolecarboxamides with therapeutic activity in HIV PAH, NPEPPS, DNPEP WNT3A 4705/4885TACR2 4647/4885GAA 725/4885
US-10869856-B2 Substituted phenylpyrrolecarboxamides with therapeutic activity in HIV PAH, NPEPPS, DNPEP WNT3A 4705/4885TACR2 4647/4885GAA 725/4885
US-20190070146-A1 SUBSTITUTED PHENYLPYRROLECARBOXAMIDES WITH THERAPEUTIC ACTIVITY IN HIV PAH, NPEPPS, DNPEP WNT3A 4705/4885TACR2 4647/4885GAA 725/4885
US-20200163935-A1 SUBSTITUTED PHENYLPYRROLECARBOXAMIDES WITH THERAPEUTIC ACTIVITY IN HIV PAH, NPEPPS, DNPEP WNT3A 4705/4885TACR2 4647/4885GAA 725/4885
US-20170273943-A1 SUBSTITUTED PHENYLPYRROLECARBOXAMIDES WITH THERAPEUTIC ACTIVITY IN HIV PAH, NPEPPS, DNPEP WNT3A 4705/4885TACR2 4647/4885GAA 725/4885
US-20200231571-A1 SUBSTITUTED PHENYLPYRROLECARBOXAMIDES WITH THERAPEUTIC ACTIVITY IN HIV PAH, NPEPPS, DNPEP WNT3A 4705/4885TACR2 4647/4885GAA 725/4885
US-20190343797-A1 SUBSTITUTED PHENYLPYRROLECARBOXAMIDES WITH THERAPEUTIC ACTIVITY IN HIV PAH, NPEPPS, DNPEP WNT3A 4705/4885TACR2 4647/4885GAA 725/4885
US-20210340126-A1 SUBSTITUTED PHENYLPYRROLECARBOXAMIDES WITH THERAPEUTIC ACTIVITY IN HIV PAH, NPEPPS, DNPEP WNT3A 4705/4885TACR2 4647/4885GAA 725/4885
US-11571409-B2 Substituted phenylpyrrolecarboxamides with therapeutic activity in HIV PAH, NPEPPS, DNPEP WNT3A 4705/4885TACR2 4647/4885GAA 725/4885
US-11059808-B2 Substituted phenylpyrrolecarboxamides with therapeutic activity in HIV PAH, NPEPPS, DNPEP WNT3A 4705/4885TACR2 4647/4885GAA 725/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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