SCHEMBL477401

SCHEMBL477401

OCc1ccccc1-c1ccncc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 4/20 0.51
KCNH2 Q12809 2/20 0.51
PDCD1 Q15116 1/20 0.47
CD274 Q9NZQ7 1/20 0.47
NOTUM Q6P988 1/20 0.46
PRKCI P41743 1/20 0.46
HSD17B10 Q99714 2/20 0.44
IMPDH2 P12268 1/20 0.44
MAPK1 P28482 1/20 0.44
PDE10A Q9Y233 1/20 0.44
DPP4 P27487 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
MAPT P10636 3/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
RAB9A P51151 1/20 0.43
MAPK10 P53779 1/20 0.43

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
Methane SCHEMBL28852242 0.98 KCNA5 (0.50) KCNA5KCNH2PDCD1CD274NOTUM
SCHEMBL5255640 0.85 XDH (0.42) KCNA5KCNH2PDCD1CD274PRKCI
SCHEMBL477395 0.82 KCNA5 (0.61) KCNA5KCNH2PDCD1CD274HSD17B10
SCHEMBL117091 0.81 PDCD1 (0.65) KCNA5KCNH2PDCD1CD274HSD17B10
SCHEMBL30826353 0.81 PDCD1 (0.65) KCNA5KCNH2PDCD1CD274HSD17B10
SCHEMBL1129835 0.81 KCNA5 (0.50) KCNA5KCNH2NOTUMPRKCIHSD17B10
SCHEMBL9289991 0.81 KCNA5 (0.50) KCNA5KCNH2NOTUMHSD17B10PDE10A
SCHEMBL3288611 0.81 DPP4 (0.69) KCNA5KCNH2NOTUMHSD17B10IMPDH2
SCHEMBL7623640 0.81 KCNA5 (0.50) KCNA5KCNH2NOTUMPRKCIHSD17B10
SCHEMBL18367730 0.80 CD274 (0.70) KCNA5KCNH2PDCD1CD274PRKCI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107286082-A A kind of preparation method of doxylamine succinate impurity A 合肥创新医药技术有限公司 2017-10-24 CN disclosed
US-8563786-B2 Method for producing optically active alcohol MITSUI CHEMICALS, INC. (JP) 2013-10-22 US disclosed
US-8546374-B2 Amino-tetrazoles analogues and methods of use ABBVIE INC. (US) 2013-10-01 US disclosed
EP-2227233-B1 IDO INHIBITORS NEWLINK GENETICS (US) 2013-02-13 EP disclosed
US-20120329772-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE ABBOTT LABORATORIES (US) 2012-12-27 US disclosed
US-8217067-B2 Antiinflammatory agents, antidepressants, analgesics, purinergic receptor antagonists; neurodegenerative diseases, spinal cord injuries; 1-(2,3-dichlorophenyl)-N-[(2-methylphenyl)methyl]-1H-tetraazol-5-amine ABBOTT LABORATORIES (US) 2012-07-10 US disclosed
US-20120088938-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2012-04-12 US disclosed
EP-2412694-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE ALCOHOL Mitsui Chemicals, Inc. (JP) 2012-02-01 EP disclosed
WO-2011084345-A1 A METHOD FOR RAPIDLY EVALUATING PERFORMANCE OF SHORT INTERFERING RNA WITH NOVEL CHEMICAL MODIFICATIONS MERCK SHARP & DOHME CORP. (US) 2011-07-14 WO disclosed
US-7723367-B2 Amino-tetrazoles analogues and methods of use ABBOTT LABORATORIES (US) 2010-05-25 US disclosed
US-7704997-B1 Amino-tetrazole analogues and methods of use ABBOTT LABORATORIES (US) 2010-04-27 US disclosed
US-20080171733-A1 Amino-Tetrazoles Analogues and Methods of Use ABBOTT LABORATORIES (US) 2008-07-17 US disclosed
US-20070049584-A1 Amino-tetrazoles analogues and methods of use ABBVIE INC. 2007-03-01 US disclosed
US-20060052374-A1 Amino-tetrazole analogues and methods of use ABBVIE INC. 2006-03-09 US disclosed
US-5719168-A Acetamide derivatives and their use as feeding behaviour modifiers LABORATOIRE L. LAFON (FR) 1998-02-17 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 (5 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-20080171733-A1 Amino-Tetrazoles Analogues and Methods of Use P2RX7, P2RX2, P2RX5 KCNA5 116/4885KCNH2 333/4885PDCD1 4489/4885
US-20120329772-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE P2RX7, P2RX2, P2RX5 KCNA5 116/4885KCNH2 333/4885PDCD1 4489/4885
US-20120088938-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL ADH1A, ADH1C, FHIT KCNA5 795/4885KCNH2 710/4885PDCD1 4265/4885
US-20070049584-A1 Amino-tetrazoles analogues and methods of use P2RX7, P2RX2, P2RX5 KCNA5 116/4885KCNH2 333/4885PDCD1 4489/4885
US-20060052374-A1 Amino-tetrazole analogues and methods of use P2RX7, P2RX2, P2RX3 KCNA5 96/4885KCNH2 281/4885PDCD1 4473/4885

“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.