SCHEMBL3780735

SCHEMBL3780735

CCCCOc1cccc(Cl)c1N

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
MCHR1 Q99705 4/20 0.50
L3MBTL1 Q9Y468 4/20 0.46
MAPT P10636 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
GLA P06280 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KCNH2 Q12809 1/20 0.44
TLR8 Q9NR97 1/20 0.43
SLC2A1 P11166 1/20 0.41
CSNK1A1 P48729 1/20 0.41
CSNK1D P48730 1/20 0.41
PRKCD Q05655 1/20 0.41
PAK1 Q13153 1/20 0.41
CAMK2B Q13554 1/20 0.41
CAMK2G Q13555 1/20 0.41
CAMK2D Q13557 1/20 0.41
TAOK1 Q7L7X3 1/20 0.41

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
SCHEMBL3784534 0.91 MCHR1 (0.49) CYP1A2CYP2C9CYP2C19MCHR1L3MBTL1
SCHEMBL7921354 0.89 CYP1A2 (0.70) CYP1A2CYP2C9CYP2C19MCHR1MAPT
SCHEMBL3791890 0.83 ALDH1A1 (0.53) L3MBTL1MAPTGLATLR8MEN1
SCHEMBL12968474 0.81 CYP1A2 (0.57) CYP1A2CYP2C9CYP2C19MCHR1L3MBTL1
SCHEMBL9621758 0.81 CYP1A2 (0.61) CYP1A2CYP2C9CYP2C19MCHR1MAPT
SCHEMBL30167630 0.81 L3MBTL1 (0.66) CYP1A2CYP2C9CYP2C19L3MBTL1MAPT
SCHEMBL3794754 0.81 L3MBTL1 (0.66) CYP1A2CYP2C9CYP2C19L3MBTL1MAPT
SCHEMBL7927085 0.81 MCHR1 (0.61) CYP1A2CYP2C9CYP2C19MCHR1MAPT
SCHEMBL7933101 0.81 MCHR1 (0.61) CYP1A2CYP2C9CYP2C19MCHR1MAPT
SCHEMBL3787026 0.80 L3MBTL1 (0.57) CYP1A2CYP2C9CYP2C19MCHR1L3MBTL1

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 CYP1A2 170/4885CYP2C9 157/4885CYP2C19 196/4885
US-20140163256-A1 METHOD FOR PRODUCING NITROBENZENE COMPOUND NOX1, NOS2, CYB5R3 CYP1A2 105/4885CYP2C9 163/4885CYP2C19 191/4885

“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.