SCHEMBL12046677

SCHEMBL12046677

COc1cc2c(cc1OC)-c1c(c(C(=O)N3CCCN(C(=O)C4CCC4)CC3)nn1-c1ccsc1)CC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ UGCG Q16739 2/20 0.39
▸ GAA P10253 1/20 0.38
▸ CFTR P13569 1/20 0.37
▸ NPC1 O15118 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ PIK3CD O00329 4/20 0.36

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
SCHEMBL1199589 0.95 UGCG (0.36) UGCGGAACFTRNPC1ALDH1A1
SCHEMBL1160202 0.90 UGCG (0.40) UGCGNPC1ALDH1A1HPGDRAB9A
SCHEMBL1199419 0.87 UGCG (0.41) UGCGGAACFTRNPC1ALDH1A1
SCHEMBL16340232 0.82 UGCG (0.38) UGCGGAACFTRALDH1A1SMN1; SMN2
SCHEMBL12046639 0.82 UGCG (0.38) UGCGALDH1A1HPGDMEN1KMT2A
SCHEMBL12046680 0.80 CCNA2 (0.45) MEN1KMT2APIK3CDPIK3R2PIK3CA
SCHEMBL16377940 0.80 MEN1 (0.35) UGCGGAAALDH1A1MAPK1MEN1
SCHEMBL16339759 0.79 PIK3CD (0.37) UGCGGAACFTRALDH1A1SMN1; SMN2
SCHEMBL16377694 0.78 UGCG (0.34) UGCGGAAALDH1A1SMN1; SMN2MAPK1
SCHEMBL20579991 0.78 UGCG (0.34) UGCGGAAALDH1A1SMN1; SMN2MAPK1

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
EP-2459551-B1 DIHYDROBENZOINDAZOLES MERCK SHARP & DOHME (NL) 2014-07-02 — — EP disclosed
US-8071589-B2 Dihydrobenzoindazoles N. V. ORGANON (NL) 2011-12-06 — — US disclosed
US-8071589-B2 Dihydrobenzoindazoles N. V. ORGANON (NL) 2011-12-06 — — US disclosed
WO-2011012674-A1 DIHYDROBENZOINDAZOLES N.V. ORGANON (NL) 2011-02-03 — — WO disclosed
US-20110028451-A1 Dihydrobenzoindazoles N.V. ORGANON (NL) 2011-02-03 — — US disclosed
US-20110028451-A1 Dihydrobenzoindazoles N.V. ORGANON (NL) 2011-02-03 — — 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 (1 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-20110028451-A1 Dihydrobenzoindazoles DHODH, BRDT, HSD17B11 UGCG 2219/4885GAA 1594/4885CFTR 189/4885

“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.

Send feedback