SCHEMBL17620030

SCHEMBL17620030

CS(=O)(=O)NCCNC(=O)C(CCCNC(=N)N)NC(=O)c1ccc(-c2ccccc2)[nH]1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GRIN1 Q05586 1/20 0.35
▸ GRIN2A Q12879 1/20 0.35
▸ F2 P00734 1/20 0.35
▸ PTGER4 P35408 2/20 0.34
▸ PADI4 Q9UM07 1/20 0.34
▸ PADI2 Q9Y2J8 1/20 0.34
▸ NQO2 P16083 1/20 0.34
▸ NPY4R P50391 4/20 0.34
▸ NPY1R P25929 3/20 0.34
▸ NPY2R P49146 3/20 0.34
▸ NPY5R Q15761 3/20 0.34
▸ TPSAB1 Q15661 3/20 0.34
▸ HDAC1 Q13547 3/20 0.33

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
SCHEMBL22260620 1.00 GRIN1 (0.35) GRIN1GRIN2AF2PTGER4PADI4
SCHEMBL17620029 0.92 MALT1 (0.36) PADI4PADI2NPY4RNPY1RNPY2R
SCHEMBL17619962 0.87 PADI4 (0.38) GRIN1GRIN2AF2PTGER4PADI4
SCHEMBL19403963 0.81 F2 (0.41) F2
SCHEMBL17620047 0.81 KDM4E (0.39) PADI4NPY4RNPY1RNPY2RNPY5R
SCHEMBL21546368 0.79 PADI4 (0.36) PADI4PADI2NPY4RNPY1RNPY2R
SCHEMBL17619954 0.79 PADI4 (0.36) PADI4PADI2NPY4RNPY1RNPY2R
SCHEMBL17619899 0.77 WNT3A (0.38) —
SCHEMBL21546358 0.75 NPY4R (0.35) PADI4PADI2NPY4RNPY1RNPY2R
SCHEMBL21546375 0.75 HDAC1 (0.37) GRIN1GRIN2APTGER4HDAC1

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 GRIN1 2953/4885GRIN2A 1846/4885F2 4406/4885
US-20210093608-A1 SUBSTITUTED PHENYLPYRROLECARBOXAMIDES WITH THERAPEUTIC ACTIVITY IN HIV PAH, NPEPPS, DNPEP GRIN1 2953/4885GRIN2A 1846/4885F2 4406/4885
US-10413527-B2 Substituted phenylpyrrolecarboxamides with therapeutic activity in HIV PAH, NPEPPS, DNPEP GRIN1 2953/4885GRIN2A 1846/4885F2 4406/4885
US-10869856-B2 Substituted phenylpyrrolecarboxamides with therapeutic activity in HIV PAH, NPEPPS, DNPEP GRIN1 2953/4885GRIN2A 1846/4885F2 4406/4885
US-20190070146-A1 SUBSTITUTED PHENYLPYRROLECARBOXAMIDES WITH THERAPEUTIC ACTIVITY IN HIV PAH, NPEPPS, DNPEP GRIN1 2953/4885GRIN2A 1846/4885F2 4406/4885
US-20200163935-A1 SUBSTITUTED PHENYLPYRROLECARBOXAMIDES WITH THERAPEUTIC ACTIVITY IN HIV PAH, NPEPPS, DNPEP GRIN1 2953/4885GRIN2A 1846/4885F2 4406/4885
US-20170273943-A1 SUBSTITUTED PHENYLPYRROLECARBOXAMIDES WITH THERAPEUTIC ACTIVITY IN HIV PAH, NPEPPS, DNPEP GRIN1 2953/4885GRIN2A 1846/4885F2 4406/4885
US-20200231571-A1 SUBSTITUTED PHENYLPYRROLECARBOXAMIDES WITH THERAPEUTIC ACTIVITY IN HIV PAH, NPEPPS, DNPEP GRIN1 2953/4885GRIN2A 1846/4885F2 4406/4885
US-20190343797-A1 SUBSTITUTED PHENYLPYRROLECARBOXAMIDES WITH THERAPEUTIC ACTIVITY IN HIV PAH, NPEPPS, DNPEP GRIN1 2953/4885GRIN2A 1846/4885F2 4406/4885
US-20210340126-A1 SUBSTITUTED PHENYLPYRROLECARBOXAMIDES WITH THERAPEUTIC ACTIVITY IN HIV PAH, NPEPPS, DNPEP GRIN1 2953/4885GRIN2A 1846/4885F2 4406/4885
US-11571409-B2 Substituted phenylpyrrolecarboxamides with therapeutic activity in HIV PAH, NPEPPS, DNPEP GRIN1 2953/4885GRIN2A 1846/4885F2 4406/4885
US-11059808-B2 Substituted phenylpyrrolecarboxamides with therapeutic activity in HIV PAH, NPEPPS, DNPEP GRIN1 2953/4885GRIN2A 1846/4885F2 4406/4885

“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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