SCHEMBL134049

SCHEMBL134049

CC=NOCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
TSHR P16473 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
GAA P10253 1/20 0.45
IDO1 P14902 1/20 0.43
AGXT P21549 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 1/20 0.38
RET P07949 1/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37

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
SCHEMBL14006337 1.00 NPC1 (0.46) NPC1RAB9ATSHRMEN1KMT2A
SCHEMBL211957 1.00 NPC1 (0.46) NPC1RAB9ATSHRMEN1KMT2A
Maleic Acid SCHEMBL6688994 0.88 HCAR2 (0.56) NPC1RAB9AMEN1KMT2AALDH1A1
Fumaric Acid SCHEMBL6689002 0.88 HCAR2 (0.56) NPC1RAB9AMEN1KMT2AALDH1A1
Maleic Acid SCHEMBL6688997 0.88 HCAR2 (0.56) NPC1RAB9AMEN1KMT2AALDH1A1
Succinic Acid SCHEMBL6684048 0.88 ALDH1A1 (0.44) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL2045290 0.82 TSHR (0.50) NPC1RAB9ATSHRMEN1KMT2A
SCHEMBL11522499 0.82 TSHR (0.50) NPC1RAB9ATSHRMEN1KMT2A
SCHEMBL15865984 0.81 AGXT (0.48) NPC1RAB9ASMN1; SMN2GAAIDO1
SCHEMBL2047060 0.80 TSHR (0.48) NPC1RAB9ATSHRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130158046-A1 BIOCOMPATIBLE BIODEGRADABLE FUMAGILLIN ANALOG CONJUGATES Mersana Therapeutics, Inc (US) 2013-06-20 US claimed
US-8399512-B2 Biocompatible biodegradable fumagillin analog conjugates MERSANA THERAPEUTICS, INC. (US) 2013-03-19 US claimed
US-20120077941-A1 POLYMERS FUNCTIONALIZED WITH PROTECTED OXIME COMPOUNDS BRIDGESTONE CORPORATION (JP) 2012-03-29 US claimed
US-8088868-B2 oximation of cojugated homopolymers formed by addtion polymerization of conjugated diene monomer in the presence lanthanide copmpounds as polymerization catalysts; polymers used in the manufacture of tires having reduced hysteresis BRIDGESTONE CORPORATION (JP) 2012-01-03 US claimed
CN-101990441-A Biocompatible biodegradable fumagillin analog conjugates MERSANA THERAPEUTICS INC 2011-03-23 CN claimed
EP-2217283-A2 BIOCOMPATIBLE BIODEGRADABLE FUMAGILLIN ANALOG CONJUGATES Mersana Therapeutics, Inc. (US) 2010-08-18 EP claimed
US-7700655-B2 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-04-20 US claimed
WO-2009073445-A2 BIOCOMPATIBLE BIODEGRADABLE FUMAGILLIN ANALOG CONJUGATES MERSANA THERAPEUTICS, INC. (US) 2009-06-11 WO claimed
US-20090148396-A1 BIOCOMPATIBLE BIODEGRADABLE FUMAGILLIN ANALOG CONJUGATES MERSANA THERAPEUTICS, INC. (US) 2009-06-11 US claimed
US-20090105292-A9 Glucocorticoid Receptor Modulator Compounds and Methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2009-04-23 US claimed
US-20070281959-A1 Glucocorticoid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2007-12-06 US claimed
US-20070185110-A1 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-08-09 US claimed
US-20070185059-A1 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-08-09 US claimed
US-20070042997-A1 Medicament for treatment of dermal pigmentation INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-02-22 US claimed
EP-1718653-A1 GLUCOCORTICOID RECEPTOR MODULATOR COMPOUNDS AND METHODS- UTILITY Ligand Pharmaceuticals Inc. (US) 2006-11-08 EP claimed
EP-1649852-A1 CHROMATOSIS REMEDIES Institute of Medicinal Molecular Design, Inc. (JP) 2006-04-26 EP claimed
WO-2005082909-A1 GLUCOCORTICOID RECEPTOR MODULATOR COMPOUNDS AND METHODS- UTILITY LIGAND PHARMACEUTICALS INCORPORATED (US) 2005-09-09 WO claimed
US-4913722-A HERBICIDES ICI AMERICAS INC. (US) 1990-04-03 US claimed
US-4877880-A REACTING AN N-3-SUBSTITUTED ALLYL ANILINE WITH AN ARYLISOTHIOCYANATE, REACTING THE RESULTANT THIOUREA WITH A (TRIFLUORO-)METHANESULFONIC ACID ICI AMERICAS INC. (US) 1989-10-31 US claimed
EP-0318253-A1 Iminophenylthiazolidines, process of preparation, and method of use ICI AMERICAS INC. (US) 1989-05-31 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-20070185110-A1 Antiallergic agents NAT1, EPX, AHR NPC1 4521/4885RAB9A 2704/4885TSHR 2963/4885
US-20090105292-A9 Glucocorticoid Receptor Modulator Compounds and Methods NR3C1, NR3C2, MC2R NPC1 1327/4885RAB9A 3084/4885TSHR 244/4885
US-20070185059-A1 Antiallergic agents NAT1, EPX, AHR NPC1 4551/4885RAB9A 2770/4885TSHR 3004/4885
US-20070281959-A1 Glucocorticoid receptor modulator compounds and methods NR3C1, NR3C2, MC2R NPC1 1327/4885RAB9A 3084/4885TSHR 244/4885
US-20070042997-A1 Medicament for treatment of dermal pigmentation TYR, XDH, XPA NPC1 2599/4885RAB9A 3815/4885TSHR 3558/4885
US-20090148396-A1 BIOCOMPATIBLE BIODEGRADABLE FUMAGILLIN ANALOG CONJUGATES VEGFA, FLT1, FLT4 NPC1 2698/4885RAB9A 2268/4885TSHR 4350/4885
US-20130158046-A1 BIOCOMPATIBLE BIODEGRADABLE FUMAGILLIN ANALOG CONJUGATES VEGFA, FLT1, FLT4 NPC1 2698/4885RAB9A 2268/4885TSHR 4350/4885

“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.