SCHEMBL698900

SCHEMBL698900

C=C(c1ncc[nH]1)c1cccc(C)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.46
TAAR1 Q96RJ0 2/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
F2RL1 P55085 3/20 0.34
ADRA2A P08913 1/20 0.33
ADRA2C P18825 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
CSNK1A1 P48729 1/20 0.33
TYRO3 Q06418 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
GLA P06280 1/20 0.33
PDE10A Q9Y233 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HTT P42858 1/20 0.33
NISCH Q9Y2I1 1/20 0.33
ALDH1A1 P00352 1/20 0.32
P2RX7 Q99572 1/20 0.32

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
SCHEMBL697619 0.85 KMT2A (0.41) KMT2ATAAR1NPC1RAB9AF2RL1
SCHEMBL696873 0.85 KMT2A (0.55) KMT2ATAAR1NPC1RAB9AF2RL1
SCHEMBL697291 0.84 KMT2A (0.46) KMT2ATAAR1NPC1RAB9ACSNK1A1
SCHEMBL698190 0.82 KMT2A (0.52) KMT2ATAAR1NPC1RAB9AF2RL1
SCHEMBL27826873 0.80 KMT2A (0.43) KMT2ATAAR1NPC1RAB9AF2RL1
SCHEMBL696517 0.80 TAAR1 (0.47) KMT2ATAAR1NPC1RAB9AF2RL1
SCHEMBL698561 0.80 TAAR1 (0.44) KMT2ATAAR1NPC1RAB9AF2RL1
SCHEMBL697294 0.79 KMT2A (0.37) KMT2ATAAR1NPC1RAB9AF2RL1
SCHEMBL697429 0.79 P2RX7 (0.44) KMT2ATAAR1P2RX7
SCHEMBL697273 0.77 KMT2A (0.50) KMT2ATAAR1NPC1RAB9AF2RL1

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.