SCHEMBL18438030

SCHEMBL18438030

COc1cccc(-c2cccc(N)c2[N+](=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.49
▸ NPC1 O15118 2/20 0.49
▸ CASP3 P42574 2/20 0.49
▸ SENP7 Q9BQF6 1/20 0.49
▸ TDO2 P48775 1/20 0.46
▸ MAOB P27338 1/20 0.44
▸ LMNA P02545 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ FBP1 P09467 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ ADORA2A P29274 2/20 0.42
▸ ADORA1 P30542 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ CYP3A4 P08684 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ BRD4 O60885 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ KMT2A Q03164 1/20 0.40

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
SCHEMBL28185641 0.85 APP (0.47) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL4937390 0.81 RAB9A (0.46) RAB9ANPC1CASP3SENP7TDO2
SCHEMBL3491442 0.80 NPC1 (0.58) RAB9ANPC1CASP3SENP7TDO2
SCHEMBL8792107 0.79 DYRK1A (0.46) RAB9ANPC1CASP3SENP7MAOB
SCHEMBL396757 0.78 TDO2 (0.55) TDO2MAOBLMNAALDH1A1MAPT
SCHEMBL30785681 0.78 TDO2 (0.55) TDO2MAOBLMNAALDH1A1MAPT
SCHEMBL1556277 0.78 ALDH1A1 (0.53) RAB9ANPC1LMNAALDH1A1MAPT
SCHEMBL2957169 0.78 NPC1 (0.70) RAB9ANPC1CASP3SENP7MAOB
SCHEMBL30785680 0.78 NPC1 (0.70) RAB9ANPC1CASP3SENP7MAOB
SCHEMBL3490386 0.77 TDO2 (0.54) TDO2MAOBLMNAALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10392383-B2 3-(1H-benzo[d]imidazol-2-yl)-1H-pyrazolo[4,3-b]pyridines and therapeutic uses thereof SAMUMED, LLC (US) 2019-08-27 — — US disclosed
CN-104011010-B Bisaniline compounds and its manufacture method 组合化学工业株式会社 2017-11-28 — — CN disclosed
WO-2017023989-A1 3-(1H-BENZO[D]IMIDAZOL-2-YL)-1H-PYRAZOLO[4,3-B]PYRIDINES AND THERAPEUTIC USES THEREOF SAMUMED, LLC. (US) 2017-02-09 — — WO disclosed
WO-2017023989-A1 3-(1H-BENZO[D]IMIDAZOL-2-YL)-1H-PYRAZOLO[4,3-B]PYRIDINES AND THERAPEUTIC USES THEREOF SAMUMED, LLC. (US) 2017-02-09 — — 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 (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-10392383-B2 3-(1H-benzo[d]imidazol-2-yl)-1H-pyrazolo[4,3-b]pyridines and therapeutic uses thereof WNT1, WNT3, WNT3A RAB9A 2150/4885NPC1 3609/4885CASP3 294/4885

“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