SCHEMBL17620185

SCHEMBL17620185

C=Cc1nc(C)c(C(=O)OCC)s1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.54
HPGD P15428 4/20 0.54
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
HSD17B10 Q99714 1/20 0.51
CDC7 O00311 1/20 0.50
DBF4 Q9UBU7 1/20 0.50
NPC1 O15118 3/20 0.49
KDM4E B2RXH2 6/20 0.48
MAPT P10636 5/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
APOBEC3G Q9HC16 1/20 0.48
LMNA P02545 3/20 0.47
TSHR P16473 1/20 0.47
CYP1A2 P05177 1/20 0.46
NPSR1 Q6W5P4 2/20 0.46
DHODH Q02127 1/20 0.46

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
SCHEMBL25256968 0.85 ALDH1A1 (0.55) ALDH1A1HPGDMEN1KMT2AHSD17B10
SCHEMBL8320324 0.81 ALDH1A1 (0.48) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL7263838 0.80 ALDH1A1 (0.54) ALDH1A1HPGDMEN1KMT2AHSD17B10
SCHEMBL7263836 0.80 ALDH1A1 (0.54) ALDH1A1HPGDMEN1KMT2AHSD17B10
SCHEMBL12034449 0.78 CDC7 (0.69) ALDH1A1HPGDMEN1KMT2AHSD17B10
SCHEMBL2498385 0.78 NPC1 (0.72) ALDH1A1HPGDMEN1KMT2AHSD17B10
SCHEMBL288785 0.76 ALDH1A1 (0.59) ALDH1A1HPGDMEN1KMT2AHSD17B10
SCHEMBL27899564 0.76 ALDH1A1 (0.59) ALDH1A1HPGDMEN1KMT2AHSD17B10
SCHEMBL25297051 0.75 TSHR (0.45) ALDH1A1HPGDMEN1KMT2AHSD17B10
SCHEMBL29030777 0.75 ALDH1A1 (0.40) ALDH1A1HPGDMEN1KMT2AHSD17B10

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 14 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-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
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
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 (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 ALDH1A1 1554/4885HPGD 2622/4885MEN1 4852/4885
US-20210093608-A1 SUBSTITUTED PHENYLPYRROLECARBOXAMIDES WITH THERAPEUTIC ACTIVITY IN HIV PAH, NPEPPS, DNPEP ALDH1A1 1554/4885HPGD 2622/4885MEN1 4852/4885
US-10413527-B2 Substituted phenylpyrrolecarboxamides with therapeutic activity in HIV PAH, NPEPPS, DNPEP ALDH1A1 1554/4885HPGD 2622/4885MEN1 4852/4885
US-10869856-B2 Substituted phenylpyrrolecarboxamides with therapeutic activity in HIV PAH, NPEPPS, DNPEP ALDH1A1 1554/4885HPGD 2622/4885MEN1 4852/4885
US-20190070146-A1 SUBSTITUTED PHENYLPYRROLECARBOXAMIDES WITH THERAPEUTIC ACTIVITY IN HIV PAH, NPEPPS, DNPEP ALDH1A1 1554/4885HPGD 2622/4885MEN1 4852/4885
US-20200163935-A1 SUBSTITUTED PHENYLPYRROLECARBOXAMIDES WITH THERAPEUTIC ACTIVITY IN HIV PAH, NPEPPS, DNPEP ALDH1A1 1554/4885HPGD 2622/4885MEN1 4852/4885
US-20170273943-A1 SUBSTITUTED PHENYLPYRROLECARBOXAMIDES WITH THERAPEUTIC ACTIVITY IN HIV PAH, NPEPPS, DNPEP ALDH1A1 1554/4885HPGD 2622/4885MEN1 4852/4885
US-20200231571-A1 SUBSTITUTED PHENYLPYRROLECARBOXAMIDES WITH THERAPEUTIC ACTIVITY IN HIV PAH, NPEPPS, DNPEP ALDH1A1 1554/4885HPGD 2622/4885MEN1 4852/4885
US-11571409-B2 Substituted phenylpyrrolecarboxamides with therapeutic activity in HIV PAH, NPEPPS, DNPEP ALDH1A1 1554/4885HPGD 2622/4885MEN1 4852/4885
US-11059808-B2 Substituted phenylpyrrolecarboxamides with therapeutic activity in HIV PAH, NPEPPS, DNPEP ALDH1A1 1554/4885HPGD 2622/4885MEN1 4852/4885

“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.