SCHEMBL104257

SCHEMBL104257

Cc1cc(C(=O)O)c(C)nn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
GABRP O00591 2/20 0.39
GABRD O14764 2/20 0.39
GABRA1 P14867 2/20 0.39
GABRB1 P18505 2/20 0.39
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
GABRA5 P31644 2/20 0.39
GABRA3 P34903 2/20 0.39
GABRA2 P47869 2/20 0.39
GABRB2 P47870 2/20 0.39
GABRA4 P48169 2/20 0.39
GABRE P78334 2/20 0.39
GABRA6 Q16445 2/20 0.39
GABRG1 Q8N1C3 2/20 0.39
GABRG3 Q99928 2/20 0.39
GABRQ Q9UN88 2/20 0.39
KDM4E B2RXH2 5/20 0.39

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
SCHEMBL30886668 1.00 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1GABRPGABRD
SCHEMBL104398 0.82 SMN1; SMN2 (0.58) ALDH1A1KMT2AMEN1KDM4EHPGD
SCHEMBL3655613 0.80 ALDH1A1 (0.42) ALDH1A1KMT2AMEN1GABRPGABRD
SCHEMBL25305134 0.80 CSNK2A1 (0.41) ALDH1A1KMT2AMEN1GABRPGABRD
SCHEMBL30501179 0.80 CSNK2A1 (0.41) ALDH1A1KMT2AMEN1GABRPGABRD
SCHEMBL18998283 0.78 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1GABRPGABRD
SCHEMBL1713978 0.78 ALDH1A1 (0.46) ALDH1A1GABRPGABRDGABRA1GABRB1
SCHEMBL3658112 0.75 POLB (0.44) ALDH1A1KMT2AMEN1GABRPGABRD
SCHEMBL30517016 0.74 NOTUM (0.43) ALDH1A1KMT2AMEN1GABRPGABRD
SCHEMBL20349185 0.74 KMT2A (0.38) ALDH1A1KMT2AMEN1GABRPGABRD

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260097034-A1 METALLOENZYME INHIBITOR COMPOUNDS CORXEL PHARMACEUTICALS HONG KONG LTD (HK) 2026-04-09 US disclosed
US-12458642-B2 Metalloenzyme inhibitor compounds CORXEL PHARMACEUTICALS HONG KONG LIMITED (HK) 2025-11-04 US disclosed
EP-4311577-A2 METALLOENZYME INHIBITOR COMPOUNDS Ji Xing Pharmaceuticals Hong Kong Limited (HK) 2024-01-31 EP disclosed
EP-3562487-B1 METALLOENZYME INHIBITOR COMPOUNDS JI XING PHARMACEUTICALS HONG KONG LTD (HK) 2023-11-29 EP disclosed
US-20210322409-A1 METALLOENZYME INHIBITOR COMPOUNDS SELENITY THERAPEUTICS (BERMUDA), LTD. (BM) 2021-10-21 US disclosed
US-11040034-B2 Metalloenzyme inhibitor compounds PHASEBIO PHARMACEUTICALS, INC. (US) 2021-06-22 US disclosed
CN-110691598-A Metalloenzyme inhibitor compounds 赛列尼蒂治疗(百慕大)有限公司 2020-01-14 CN disclosed
EP-3562487-A2 METALLOENZYME INHIBITOR COMPOUNDS Selenity Therapeutics (Bermuda), Ltd. (BM) 2019-11-06 EP disclosed
US-20190008861-A1 METALLOENZYME INHIBITOR COMPOUNDS CORXEL PHARMACEUTICALS HONG KONG LIMITED (HK) 2019-01-10 US disclosed
US-10085984-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS (BERMUDA), LTD. (BM) 2018-10-02 US disclosed
CN-102307853-A Pyrrolidine derivatives as NK3 receptor antagonists HOFFMANN LA ROCHE 2012-01-04 CN disclosed
EP-2398768-A1 PYRROLIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2011-12-28 EP disclosed
US-8012998-B2 Pyrrolidine aryl-ether as NK-3 receptor antagonists Hoffmann—La Roche Inc. (US) 2011-09-06 US disclosed
EP-2185540-B1 PYRROLIDINE ARYL-ETHER AS NK3 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2011-07-20 EP disclosed
WO-2010094667-A1 PYRROLIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2010-08-26 WO disclosed
US-20100210659-A1 PYRROLIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2010-08-19 US disclosed
CN-101778837-A Pyrrolidine aryl-ether as nk3 receptor antagonists HOFFMANN LA ROCHE 2010-07-14 CN disclosed
EP-2185540-A1 PYRROLIDINE ARYL-ETHER AS NK3 RECEPTOR ANTAGONISTS F. Hoffmann-Roche AG (CH) 2010-05-19 EP disclosed
WO-2009019163-A1 PYRROLIDINE ARYL-ETHER AS NK3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-12 WO disclosed
US-20090042896-A1 PYRROLIDINE ARYL-ETHER AS NK3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-12 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 (8 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-12458642-B2 Metalloenzyme inhibitor compounds CYP11B2, CYP11B1, HSD11B2 ALDH1A1 232/4885KMT2A 1496/4885MEN1 839/4885
US-20100210659-A1 PYRROLIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS OPRL1, OPRK1, OPRD1 ALDH1A1 956/4885KMT2A 1397/4885MEN1 4851/4885
US-20260097034-A1 METALLOENZYME INHIBITOR COMPOUNDS CPN1, TPP1, DPP4 ALDH1A1 189/4885KMT2A 2003/4885MEN1 1831/4885
US-20210322409-A1 METALLOENZYME INHIBITOR COMPOUNDS SOD1, RNASE1, FECH ALDH1A1 457/4885KMT2A 2849/4885MEN1 720/4885
US-11040034-B2 Metalloenzyme inhibitor compounds SOD1, RNASE1, FECH ALDH1A1 457/4885KMT2A 2849/4885MEN1 720/4885
US-20190008861-A1 METALLOENZYME INHIBITOR COMPOUNDS SOD1, RNASE1, FECH ALDH1A1 457/4885KMT2A 2849/4885MEN1 720/4885
US-20090042896-A1 PYRROLIDINE ARYL-ETHER AS NK3 RECEPTOR ANTAGONISTS OPRL1, OPRK1, OPRD1 ALDH1A1 639/4885KMT2A 1000/4885MEN1 4841/4885
US-10085984-B2 Metalloenzyme inhibitor compounds SOD1, RNASE1, FECH ALDH1A1 457/4885KMT2A 2849/4885MEN1 720/4885

“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.