SCHEMBL3785895

SCHEMBL3785895

CCNc1cccc(NCC)c1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 1/20 0.45
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
GPR35 Q9HC97 2/20 0.43
USP2 O75604 2/20 0.43
CASP1 P29466 1/20 0.43
BRCA1 P38398 1/20 0.43
CASP7 P55210 1/20 0.43
IDO1 P14902 2/20 0.41
MAPT P10636 3/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 2/20 0.38
ALDH1A1 P00352 2/20 0.38
POLB P06746 2/20 0.38
MITF O75030 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
RECQL P46063 1/20 0.38
GRM5 P41594 1/20 0.38

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
SCHEMBL3088415 0.89 MEN1 (0.50) FABP4MEN1KMT2AUSP2CASP1
Hydrochloric Acid SCHEMBL3395899 0.87 MEN1 (0.48) FABP4MEN1KMT2AUSP2CASP1
SCHEMBL3783584 0.85 FABP4 (0.40) FABP4MEN1KMT2AGPR35USP2
SCHEMBL526384 0.78 IDO1 (0.52) FABP4MEN1KMT2AUSP2CASP1
SCHEMBL1116563 0.78 IDO1 (0.48) MEN1KMT2AUSP2IDO1MAPT
SCHEMBL5047053 0.78 LCK (0.40) MEN1KMT2AUSP2CASP1BRCA1
SCHEMBL8293625 0.78 ALDH1A1 (0.53) MEN1KMT2AUSP2MAPTLMNA
SCHEMBL8164568 0.77 MEN1 (0.44) FABP4MEN1KMT2AUSP2CASP1
SCHEMBL9151179 0.77 KMT2A (0.48) MEN1KMT2AUSP2CASP1BRCA1
SCHEMBL22131082 0.76 ALDH1A1 (0.38) MEN1KMT2AUSP2CASP1BRCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-3951591-A Process for dyeing synthetic fiber materials HOECHST AKTIENGESELLSCHAFT (DT) 1976-04-20 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 (1 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 FABP4 3879/4885MEN1 174/4885KMT2A 1474/4885

“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.