SCHEMBL10123136

SCHEMBL10123136

CC(=O)Cc1ccc(C)nc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
GABRA1 P14867 2/20 0.43
GABRA5 P31644 2/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
GABRP O00591 1/20 0.43
GABRD O14764 1/20 0.43
GABRB1 P18505 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA3 P34903 1/20 0.43
GABRA2 P47869 1/20 0.43
GABRB2 P47870 1/20 0.43
GABRA4 P48169 1/20 0.43
GABRE P78334 1/20 0.43
GABRA6 Q16445 1/20 0.43
GABRG1 Q8N1C3 1/20 0.43
GABRG3 Q99928 1/20 0.43
GABRQ Q9UN88 1/20 0.43

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
SCHEMBL575044 0.84 GABRP (0.61) TSHRSMN1; SMN2GABRA1GABRA5HDAC1
Hydrochloric Acid SCHEMBL7020108 0.82 GABRP (0.59) TSHRSMN1; SMN2GABRA1GABRA5HDAC1
SCHEMBL30452033 0.82 TSHR (0.49) TSHRSMN1; SMN2GABRA1GABRA5HDAC1
SCHEMBL2500952 0.82 TSHR (0.49) TSHRSMN1; SMN2GABRA1GABRA5HDAC1
Hydrochloric Acid SCHEMBL17873669 0.81 TSHR (0.47) TSHRSMN1; SMN2GABRA1GABRA5HDAC1
SCHEMBL15120986 0.81 TSHR (0.47) TSHRSMN1; SMN2GABRA1GABRA5HDAC1
SCHEMBL12295789 0.81 SMN1; SMN2 (0.55) TSHRSMN1; SMN2HDAC1HDAC6P4HTM
SCHEMBL13333432 0.80 P4HTM (0.43) TSHRSMN1; SMN2GABRA1GABRA5GABRP
SCHEMBL15066867 0.80 P4HTM (0.43) TSHRSMN1; SMN2GABRA1GABRA5GABRP
SCHEMBL24589251 0.79 TSHR (0.46) TSHRSMN1; SMN2GABRA1GABRA5HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11737463-B2 Pyridine and pyrazine compounds BASF SE (DE) 2023-08-29 US disclosed
US-8912176-B2 Azetidines as histamine H3 receptor antagonists EVOTEC AG (DE) 2014-12-16 US disclosed
US-8841331-B2 Inhibitors of human immunodeficiency virus replication GILEAD SCIENCES, INC. (US) 2014-09-23 US disclosed
US-20130203747-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION GILEAD SCIENCES, INC. (US) 2013-08-08 US disclosed
US-20120040952-A1 AZETIDINES AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC AG (DE) 2012-02-16 US disclosed
US-20110071289-A1 AMINOPYRAZOLE AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-03-24 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 (4 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-11737463-B2 Pyridine and pyrazine compounds NDUFS5, IL5, NDUFS4 TSHR 3652/4885SMN1; SMN2 3876/4885GABRA1 2798/4885
US-20120040952-A1 AZETIDINES AS HISTAMINE H3 RECEPTOR ANTAGONISTS HRH3, HRH2, HRH1 TSHR 159/4885SMN1; SMN2 4075/4885GABRA1 462/4885
US-20110071289-A1 AMINOPYRAZOLE AMIDE DERIVATIVE ARGLU1, ARG1, CNKSR1 TSHR 571/4885SMN1; SMN2 4234/4885GABRA1 1284/4885
US-20130203747-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION RTF2, REV1, RTF1 TSHR 3136/4885SMN1; SMN2 4172/4885GABRA1 4224/4885

“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.