SCHEMBL3787128

SCHEMBL3787128

CCCCc1cc(N)ccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.45
TSHR P16473 2/20 0.45
BRD9 Q9H8M2 1/20 0.40
TLR8 Q9NR97 2/20 0.40
CTRC Q99895 1/20 0.40
TYR P14679 1/20 0.39
HTR2A P28223 1/20 0.39
SLC6A4 P31645 1/20 0.39
PRKCI P41743 1/20 0.38
SKP2 Q13309 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
GLA P06280 1/20 0.37
ACHE P22303 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL27532784 0.93 HTR2A (0.43) CYP3A4TSHRTLR8TYRHTR2A
SCHEMBL3786681 0.88 CYP3A4 (0.48) CYP3A4TSHRBRD9HTR2ASLC6A4
SCHEMBL3784690 0.85 CYP3A4 (0.45) CYP3A4TSHRBRD9TLR8CTRC
SCHEMBL11347930 0.82 TYR (0.47) CYP3A4TSHRTLR8CTRCTYR
SCHEMBL6175929 0.81 PRKCI (0.47) CYP3A4TSHRHTR2ASLC6A4PRKCI
SCHEMBL30645684 0.80 MEN1 (0.44) CYP3A4TSHRCTRCTYRSMN1; SMN2
SCHEMBL8641170 0.80 MEN1 (0.44) CYP3A4TSHRCTRCTYRSMN1; SMN2
SCHEMBL5381974 0.80 TLR8 (0.42) CYP3A4TSHRTLR8TYRHTR2A
SCHEMBL39005 0.80 SKP2 (0.48) CYP3A4TSHRTLR8TYRHTR2A
SCHEMBL5377652 0.80 TYR (0.46) CYP3A4TSHRTLR8CTRCTYR

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 2 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

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 CYP3A4 177/4885TSHR 1688/4885BRD9 247/4885

“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.