SCHEMBL697784

SCHEMBL697784

C=C(c1ccccc1)c1ncc[nH]1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTOR P42345 1/20 0.47
ADK P55263 1/20 0.47
NISCH Q9Y2I1 1/20 0.47
KMT2A Q03164 4/20 0.44
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 3/20 0.40
TAAR1 Q96RJ0 4/20 0.39
GAA P10253 3/20 0.38
MEN1 O00255 3/20 0.38
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
CSNK1A1 P48729 1/20 0.37
TYRO3 Q06418 1/20 0.37
DYRK1B Q9Y463 1/20 0.37
HTT P42858 2/20 0.35

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
SCHEMBL712135 0.81 NPC1 (0.65) MTORADKNISCHKMT2ANPC1
SCHEMBL10957602 0.81 CA12 (0.38) MTORADKNISCHKMT2ANPC1
SCHEMBL11137294 0.81 NPC1 (0.42) MTORADKNISCHKMT2ANPC1
SCHEMBL11088338 0.80 KMT2A (0.46) MTORADKNISCHKMT2ANPC1
SCHEMBL696226 0.80 KMT2A (0.41) KMT2ANPC1RAB9AALDH1A1KDM4E
SCHEMBL697214 0.80 CES2 (0.41) KMT2ANPC1RAB9AMEN1
SCHEMBL1573195 0.80 NPC1 (0.46) NISCHKMT2ANPC1RAB9ATAAR1
SCHEMBL18862994 0.78 KMT2A (0.45) MTORADKNISCHKMT2ANPC1
SCHEMBL1507800 0.78 CYP19A1 (0.41) NPC1RAB9AALDH1A1KDM4EMAPT
SCHEMBL703336 0.78 NPC1 (0.44) NPC1RAB9AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2423199-A1 Substituted imidazoles and their use as pesticides Pfizer Limited (GB) 2012-02-29 EP disclosed
EP-1981853-B1 SUBSTITUTED IMIDAZOLES AND THEIR USE AS PESTICIDES PFIZER LTD (GB) 2011-04-13 EP disclosed
US-7825149-B2 Substituted imidazoles PFIZER LIMITED (GB) 2010-11-02 US disclosed
US-20090312326-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2009-12-17 US disclosed
US-7592362-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-09-22 US disclosed
US-7547718-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-06-16 US disclosed
US-7544706-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-06-09 US disclosed
US-20080125473-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2008-05-29 US disclosed
US-20080119536-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2008-05-22 US disclosed
US-20070167506-A1 SUBSTITUTED IMIDAZOLES PFIZER INC. (US) 2007-07-19 US disclosed
US-5216007-A Fungicides ROHM AND HAAS COMPANY (US) 1993-06-01 US disclosed
EP-0049913-B1 NEW ETHENYLIMIDAZOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM; INTERMEDIATES, USEFUL IN THEIR PREPARATION AND A PROCESS FOR THE PREPARATION THEREOF GIST-BROCADES N.V. (NL) 1986-03-19 EP disclosed
EP-0076628-A2 Novel substituted imidazoles and triazoles, fungicidal compositions containing them and the use of the novel compounds for combating fungi ROHM AND HAAS COMPANY (US) 1983-04-13 EP disclosed
EP-0049913-A2 New ethenylimidazole derivatives, processes for their preparation and pharmaceutical compositions containing them; intermediates, useful in their preparation and a process for the preparation thereof GIST-BROCADES N.V. (NL) 1982-04-21 EP 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 (4 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-20080125473-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 MTOR 3346/4885ADK 2931/4885NISCH 5/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 MTOR 3346/4885ADK 2931/4885NISCH 5/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 MTOR 3346/4885ADK 2931/4885NISCH 5/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 MTOR 3346/4885ADK 2931/4885NISCH 5/4885

“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.