SCHEMBL3784534

SCHEMBL3784534

CCCOc1cccc(Cl)c1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
CSNK2A1 P68400 2/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
L3MBTL1 Q9Y468 4/20 0.45
MAPT P10636 2/20 0.43
GAA P10253 2/20 0.43
HTT P42858 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
KMT2A Q03164 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
SCHEMBL3780735 0.91 CYP1A2 (0.58) MCHR1NPC1RAB9ACYP1A2CYP2C9
SCHEMBL7928280 0.88 MCHR1 (0.58) MCHR1CSNK2A1CYP1A2CYP2C9CYP2C19
SCHEMBL3791890 0.85 ALDH1A1 (0.53) RAB9AL3MBTL1MAPTGAAKDM4E
SCHEMBL30967549 0.81 CYP1A2 (0.58) MCHR1CSNK2A1CYP1A2CYP2C9CYP2C19
SCHEMBL15473216 0.81 ALDH1A1 (0.54) MCHR1NPC1RAB9ACSNK2A1CYP1A2
SCHEMBL11261747 0.81 CYP1A2 (0.58) MCHR1CSNK2A1CYP1A2CYP2C9CYP2C19
SCHEMBL3790085 0.80 L3MBTL1 (0.59) NPC1RAB9ACSNK2A1CYP1A2CYP2C9
SCHEMBL3786544 0.79 L3MBTL1 (0.58) MCHR1NPC1RAB9ACSNK2A1L3MBTL1
SCHEMBL8083661 0.79 RAB9A (0.49) MCHR1NPC1RAB9ACSNK2A1CYP1A2
SCHEMBL11703860 0.79 MCHR1 (0.50) MCHR1CYP1A2CYP2C9CYP2C19MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2754651-B1 NITROBENZENE COMPOUND MANUFACTURING METHOD KUMIAI CHEMICAL INDUSTRY CO (JP) 2017-12-06 EP disclosed
US-9006477-B2 Method for producing nitrobenzene compound IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2015-04-14 US disclosed
US-20140163256-A1 METHOD FOR PRODUCING NITROBENZENE COMPOUND IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2014-06-12 US disclosed
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 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 (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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 MCHR1 4010/4885NPC1 724/4885RAB9A 1357/4885
US-20140163256-A1 METHOD FOR PRODUCING NITROBENZENE COMPOUND NOX1, NOS2, CYB5R3 MCHR1 1145/4885NPC1 4336/4885RAB9A 1223/4885

“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.