SCHEMBL19403986

SCHEMBL19403986

CC(NC(=O)c1ccc(-c2ccccc2)[nH]1)C(=O)NCCO

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.45
▸ TSHR P16473 1/20 0.45
▸ F2 P00734 4/20 0.45
▸ MASP2 O00187 1/20 0.45
▸ PTPN1 P18031 1/20 0.43
▸ GHSR Q92847 2/20 0.39
▸ PSMB8 P28062 1/20 0.39
▸ PSMB9 P28065 1/20 0.39
▸ PSMB5 P28074 1/20 0.39
▸ KDM4E B2RXH2 3/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ PTGER3 P43115 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.37
▸ ADORA2A P29274 1/20 0.37
▸ ADORA2B P29275 1/20 0.37
▸ ADORA1 P30542 1/20 0.37
▸ HPGD P15428 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37

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
SCHEMBL22260666 0.89 KDM4E (0.48) CYP3A4TSHRF2MASP2PTPN1
SCHEMBL19403960 0.88 MALT1 (0.37) CYP3A4TSHRF2MASP2PTPN1
SCHEMBL19403963 0.85 F2 (0.41) CYP3A4TSHRF2MASP2PTPN1
SCHEMBL22040413 0.77 PTPN1 (0.47) TSHRPTPN1KDM4ECYP2C9HPGD
SCHEMBL20266985 0.72 PTPN1 (0.52) PTPN1KDM4ECYP2C9HPGDLMNA
SCHEMBL20267071 0.71 PTPN1 (0.51) TSHRPTPN1KDM4ECYP2C9HPGD
SCHEMBL22307347 0.70 PTPN1 (0.54) PTPN1GHSRKDM4ECYP2C9CYP2C19
SCHEMBL21546375 0.70 HDAC1 (0.37) PTPN1GHSR
SCHEMBL7185412 0.70 PTPN1 (0.50) PTPN1GHSRKDM4ECYP2C9CYP2C19
SCHEMBL21546368 0.69 PADI4 (0.36) —

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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

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

For each of this compound's patents that has machine-readable text (10 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 CYP3A4 35/4885TSHR 4426/4885F2 4406/4885
US-10413527-B2 Substituted phenylpyrrolecarboxamides with therapeutic activity in HIV PAH, NPEPPS, DNPEP CYP3A4 35/4885TSHR 4426/4885F2 4406/4885
US-10869856-B2 Substituted phenylpyrrolecarboxamides with therapeutic activity in HIV PAH, NPEPPS, DNPEP CYP3A4 35/4885TSHR 4426/4885F2 4406/4885
US-20190070146-A1 SUBSTITUTED PHENYLPYRROLECARBOXAMIDES WITH THERAPEUTIC ACTIVITY IN HIV PAH, NPEPPS, DNPEP CYP3A4 35/4885TSHR 4426/4885F2 4406/4885
US-20200163935-A1 SUBSTITUTED PHENYLPYRROLECARBOXAMIDES WITH THERAPEUTIC ACTIVITY IN HIV PAH, NPEPPS, DNPEP CYP3A4 35/4885TSHR 4426/4885F2 4406/4885
US-20170273943-A1 SUBSTITUTED PHENYLPYRROLECARBOXAMIDES WITH THERAPEUTIC ACTIVITY IN HIV PAH, NPEPPS, DNPEP CYP3A4 35/4885TSHR 4426/4885F2 4406/4885
US-20200231571-A1 SUBSTITUTED PHENYLPYRROLECARBOXAMIDES WITH THERAPEUTIC ACTIVITY IN HIV PAH, NPEPPS, DNPEP CYP3A4 35/4885TSHR 4426/4885F2 4406/4885
US-20190343797-A1 SUBSTITUTED PHENYLPYRROLECARBOXAMIDES WITH THERAPEUTIC ACTIVITY IN HIV PAH, NPEPPS, DNPEP CYP3A4 35/4885TSHR 4426/4885F2 4406/4885
US-20210340126-A1 SUBSTITUTED PHENYLPYRROLECARBOXAMIDES WITH THERAPEUTIC ACTIVITY IN HIV PAH, NPEPPS, DNPEP CYP3A4 35/4885TSHR 4426/4885F2 4406/4885
US-11059808-B2 Substituted phenylpyrrolecarboxamides with therapeutic activity in HIV PAH, NPEPPS, DNPEP CYP3A4 35/4885TSHR 4426/4885F2 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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