SCHEMBL3603082

SCHEMBL3603082

CC(=O)c1ccc(O)nn1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 2/20 0.44
ALDH1A1 P00352 1/20 0.40
NNMT P40261 1/20 0.36
THRB P10828 1/20 0.34
KDM1A O60341 1/20 0.33
HSD17B1 P14061 1/20 0.32
CA5A P35218 1/20 0.31
MEN1 O00255 1/20 0.30
CYP3A4 P08684 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL13165482 0.87 KCNJ1 (0.52) KCNJ1ALDH1A1NNMTTHRBKDM1A
SCHEMBL31058098 0.78 KCNJ1 (0.46) KCNJ1ALDH1A1NNMTMEN1CYP3A4
SCHEMBL1427584 0.78 KDM4E (0.42) ALDH1A1MEN1KMT2A
SCHEMBL11008718 0.78 NNMT (0.33) NNMT
SCHEMBL21935846 0.76 KCNJ1 (0.44) KCNJ1ALDH1A1NNMTTHRBKDM1A
SCHEMBL3603079 0.76 KCNJ1 (0.44) KCNJ1ALDH1A1NNMTTHRB
Water SCHEMBL2130375 0.76 KDM4E (0.41) ALDH1A1MEN1KMT2A
SCHEMBL4927935 0.76 KCNJ1 (0.44) KCNJ1ALDH1A1NNMTKMT2A
SCHEMBL936571 0.76 MAPK1 (0.48) NNMT
SCHEMBL5302622 0.74 KCNJ1 (0.43) KCNJ1ALDH1A1NNMTCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12043612-B2 Methods of manufacturing a bifunctional compound, ultrapure forms of the bifunctional compound, and dosage forms comprising the same ARVINAS OPERATIONS, INC. (US) 2024-07-23 US disclosed
US-20220009938-A1 11,13-MODIFIED SAXITOXINS FOR THE TREATMENT OF PAIN SITEONE THERAPEUTICS, INC. 2022-01-13 US disclosed
US-7754743-B2 Heteroarylcarbamoylbenzene derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-07-13 US disclosed
US-20090018056-A1 Heteroarylcarbamoylbenzene derivatives MSD K.K. (JP) 2009-01-15 US disclosed
US-7432287-B2 Heteroarylcarbamoylbenzene derivative BANYU PHARMECEUTICAL CO., LTD. (JP) 2008-10-07 US disclosed
US-20060167053-A1 Heteroarylcarbamoylbenzene derivative MSD K.K. (JP) 2006-07-27 US disclosed
EP-1600442-A1 HETEROARYLCARBAMOYLBENZENE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-11-30 EP disclosed
WO-2000023444-A1 5,7-DISUBSTITUTED-4-AMINOPYRIDO[2,3-D]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2000-04-27 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 (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-12043612-B2 Methods of manufacturing a bifunctional compound, ultrapure forms of the bifunctional compound, and dosage forms comprising the same PAICS, UGT1A1, PBRM1 KCNJ1 4129/4885ALDH1A1 367/4885NNMT 1688/4885
US-20090018056-A1 Heteroarylcarbamoylbenzene derivatives GCK, GCKR, KHK KCNJ1 93/4885ALDH1A1 707/4885NNMT 2218/4885
US-20060167053-A1 Heteroarylcarbamoylbenzene derivative GCK, GCKR, GALK1 KCNJ1 355/4885ALDH1A1 902/4885NNMT 1671/4885
US-20220009938-A1 11,13-MODIFIED SAXITOXINS FOR THE TREATMENT OF PAIN SCN11A, SCN10A, SCN3A KCNJ1 155/4885ALDH1A1 3205/4885NNMT 3338/4885

“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.