SCHEMBL696173

SCHEMBL696173

O=C(CN1C(=O)c2ccccc2C1=O)c1ccc(F)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.71
NPC1 O15118 2/20 0.66
CA12 O43570 2/20 0.59
CA9 Q16790 2/20 0.59
CA1 P00915 1/20 0.59
RAB9A P51151 1/20 0.59
KDM4E B2RXH2 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
TP53 P04637 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
ALDH1A1 P00352 3/20 0.54
LMNA P02545 1/20 0.54
MAPT P10636 1/20 0.54
HPGD P15428 1/20 0.54
POLB P06746 2/20 0.53
RPS6KA2 Q15349 1/20 0.51
TSHR P16473 1/20 0.50
CASP3 P42574 1/20 0.50
IDO1 P14902 1/20 0.50
KMT2A Q03164 1/20 0.49

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
SCHEMBL30546567 0.86 GSK3B (0.75) GSK3BNPC1CA12CA9RAB9A
SCHEMBL543706 0.86 GSK3B (0.75) GSK3BNPC1CA12CA9RAB9A
SCHEMBL1906596 0.85 GSK3B (0.73) GSK3BNPC1CA12CA9RAB9A
Methane SCHEMBL11813940 0.84 GSK3B (0.73) GSK3BNPC1CA12CA9RAB9A
SCHEMBL7345361 0.84 SMN1; SMN2 (0.63) GSK3BNPC1CA12CA9CA1
SCHEMBL694554 0.83 GSK3B (0.71) GSK3BNPC1CA12CA9RAB9A
SCHEMBL14711680 0.83 GSK3B (1.00) GSK3BNPC1CA12CA9RAB9A
SCHEMBL29236638 0.81 GSK3B (0.68) GSK3BNPC1CA12CA9RAB9A
SCHEMBL24099161 0.80 ALDH1A1 (0.64) NPC1RAB9AKDM4ESMN1; SMN2L3MBTL1
SCHEMBL1609155 0.80 NPC1 (1.00) GSK3BNPC1RAB9AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118184477-A Method for preparing chiral amino alcohol compound by catalyzing amino ketone with nickel metal by using water as hydrogen source 云南民族大学 2024-06-14 CN disclosed
EP-2421864-B1 1-PYRAZOLO[4,3-C]ISOQUINOLINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2014-08-06 EP disclosed
US-8461175-B2 1-pyrazolo[4,3-c]isoquinoline derivatives, preparation thereof and therapeutic use thereof SANOFI-AVENTIS (FR) 2013-06-11 US disclosed
US-20120115898-A1 1-PYRAZOLO[4,3-C]ISOQUINOLINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-05-10 US disclosed
EP-2421864-A1 1-PYRAZOLO[4,3-C]ISOQUINOLINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-02-29 EP disclosed
WO-2010122272-A1 1-PYRAZOLO[4,3-C]ISOQUINOLINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-10-28 WO disclosed
EP-1075475-B1 HETEROCYCLIC CARBOXAMIDE DERIVATIVES AS INHIBITORS OF NITRIC OXIDE PRODUCTION FUJISAWA PHARMACEUTICAL CO (JP) 2003-06-18 EP disclosed
US-20020132809-A1 Heterocyclic carboxamide derivatives as inhibitors of nitric oxide production FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2002-09-19 US disclosed
EP-1075475-A1 HETEROCYCLIC CARBOXAMIDE DERIVATIVES AS INHIBITORS OF NITRIC OXIDE PRODUCTION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-02-14 EP disclosed
WO-1999057114-A1 HETEROCYCLIC CARBOXAMIDE DERIVATIVES AS INHIBITORS OF NITRIC OXIDE PRODUCTION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-11-11 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 (2 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-20020132809-A1 Heterocyclic carboxamide derivatives as inhibitors of nitric oxide production NOS1, NOS3, NOS2 GSK3B 1016/4885NPC1 1265/4885CA12 3077/4885
US-20120115898-A1 1-PYRAZOLO[4,3-C]ISOQUINOLINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF CBR3, CYP4F3, HCCS GSK3B 2594/4885NPC1 326/4885CA12 1607/4885

“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.