SCHEMBL1889879

SCHEMBL1889879

C1=CC(c2ccco2)=N[N]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.45
KDM4E B2RXH2 8/20 0.45
MAPT P10636 6/20 0.45
HSD17B10 Q99714 6/20 0.45
HPGD P15428 6/20 0.45
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
POLB P06746 3/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
TDP1 Q9NUW8 3/20 0.45
BLM P54132 3/20 0.45
PKM P14618 2/20 0.45
ALOX15 P16050 2/20 0.45
CASP1 P29466 2/20 0.45
PTPN7 P35236 2/20 0.45
RECQL P46063 2/20 0.45
CASP7 P55210 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
USP2 O75604 1/20 0.45

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
SCHEMBL1799678 0.68 ALDH1A1 (0.63) ALDH1A1KDM4EMAPTHSD17B10HPGD
SCHEMBL9465018 0.67 KEAP1 (0.43) ALDH1A1KDM4ENPC1RAB9APOLB
SCHEMBL394300 0.66 TAAR1 (0.76) ALDH1A1KDM4EMAPTHSD17B10HPGD
SCHEMBL9465155 0.65 NPC1 (0.37) ALDH1A1KDM4EMAPTHSD17B10HPGD
SCHEMBL9465148 0.65 ALDH1A1 (0.39) ALDH1A1KDM4EMAPTHSD17B10HPGD
SCHEMBL9466557 0.65 PTGS1 (0.33)
SCHEMBL9465454 0.64 MAOB (0.49) ALDH1A1KDM4EMAPTHSD17B10HPGD
SCHEMBL30487922 0.64 TAAR1 (0.73) ALDH1A1KDM4EMAPTHSD17B10HPGD
SCHEMBL9465375 0.64 CHRM2 (0.33)
SCHEMBL2114343 0.62 MAPT (1.00) ALDH1A1KDM4EMAPTHSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6114532-A ANTICOAGULANT BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-09-05 US claimed
US-20110105573-A1 BENZIMIDAZOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF WYETH 2011-05-05 US disclosed
US-7732618-B2 Benzimidazole acetic acids exhibiting CRTH2 receptor antagonism and uses thereof WYETH (US) 2010-06-08 US disclosed
EP-1814865-A4 BENZIMIDAZOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF WYETH CORP (US) 2009-09-02 EP disclosed
EP-1814865-A2 BENZIMIDAZOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF Athersys, Inc. (US) 2007-08-08 EP disclosed
US-20060106081-A1 Benzimidazole acetic acids exhibiting CRTH2 receptor antagonism and uses thereof WYETH 2006-05-18 US disclosed
WO-2006034418-A2 BENZIMIDAZOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF ATHERSYS, INC. (US) 2006-03-30 WO disclosed
US-6114532-A ANTICOAGULANT BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-09-05 US disclosed
US-5246914-A Fungicides and plant growth regulators BASF AKTIENGESELLSCHAFT (DE) 1993-09-21 US disclosed
US-4755605-A Process for preparing biologically active amides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-07-05 US disclosed
US-4709038-A HERBICIDES, FUNGICIDES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-11-24 US disclosed
US-4552887-A FUNGICIDES; PYRAZOLYL, TETRAZOLYL OR TRIAZOLYL GROUP IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-11-12 US disclosed
US-4515959-A HERBICIDES, FUNGICIDES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-05-07 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 (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-20060106081-A1 Benzimidazole acetic acids exhibiting CRTH2 receptor antagonism and uses thereof HRH2, TBXA2R, PTGDR2 ALDH1A1 331/4885KDM4E 4800/4885MAPT 4765/4885
US-20110105573-A1 BENZIMIDAZOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF HRH2, TBXA2R, PTGDR2 ALDH1A1 331/4885KDM4E 4800/4885MAPT 4765/4885

“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.