SCHEMBL697438

SCHEMBL697438

C/C=C(\c1ncc[nH]1)c1cccc(C)c1C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
GLA P06280 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
HTT P42858 1/20 0.33
F2RL1 P55085 1/20 0.33
ALDH1A1 P00352 2/20 0.32
TRPA1 O75762 1/20 0.32
ATM Q13315 1/20 0.32
CSNK1A1 P48729 1/20 0.31
TYRO3 Q06418 1/20 0.31
DYRK1B Q9Y463 1/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
CTNNB1 P35222 1/20 0.31
WNT3A P56704 1/20 0.31

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
SCHEMBL697439 1.00 KMT2A (0.40) KMT2ATAAR1NPC1RAB9AGLA
SCHEMBL697995 0.80 KMT2A (0.59) KMT2ATAAR1NPC1RAB9AGLA
SCHEMBL697619 0.80 KMT2A (0.41) KMT2ATAAR1NPC1RAB9AGLA
SCHEMBL23893035 0.78 KMT2A (0.52) KMT2ATAAR1NPC1RAB9AGLA
SCHEMBL6546578 0.71 TRPA1 (0.41) KMT2ANPC1RAB9ASMN1; SMN2HTT
SCHEMBL21401167 0.71 ADRA2C (0.44) KMT2ANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL21401170 0.71 ADRA2C (0.44) KMT2ANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL28358852 0.70 KMT2A (0.67) KMT2ANPC1RAB9AGLASMN1; SMN2
SCHEMBL697291 0.70 KMT2A (0.46) KMT2ATAAR1NPC1RAB9AGLA
SCHEMBL10550141 0.70 NPC1 (0.33) NPC1RAB9ATRPA1ATMESR1

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
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

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 KMT2A 945/4885TAAR1 2147/4885NPC1 745/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 KMT2A 945/4885TAAR1 2147/4885NPC1 745/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 KMT2A 945/4885TAAR1 2147/4885NPC1 745/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 KMT2A 945/4885TAAR1 2147/4885NPC1 745/4885

“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.