SCHEMBL3767140

SCHEMBL3767140

O=Cc1c(Cl)ccc2c1ccc1ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 4/20 0.52
ERN1 O75460 1/20 0.50
MAPT P10636 3/20 0.49
LMNA P02545 1/20 0.49
CYP3A4 P08684 1/20 0.49
APEX1 P27695 1/20 0.49
MAPK1 P28482 1/20 0.49
PMP22 Q01453 1/20 0.49
CYP2A6 P11509 3/20 0.48
PAX8 Q06710 1/20 0.48
TDP1 Q9NUW8 4/20 0.47
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
PADI4 Q9UM07 1/20 0.46
HSD17B10 Q99714 2/20 0.44
TSHR P16473 1/20 0.44
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL3707056 1.00 HPRT1 (0.52) HPRT1ERN1MAPTLMNACYP3A4
SCHEMBL1246034 0.90 ERN1 (0.60) HPRT1ERN1MAPTLMNACYP3A4
SCHEMBL27716373 0.79 HPRT1 (0.54) HPRT1ERN1MAPTLMNACYP3A4
SCHEMBL547658 0.79 HPRT1 (0.54) HPRT1ERN1MAPTLMNACYP3A4
SCHEMBL10615396 0.78 ERN1 (0.82) HPRT1ERN1MAPTALDH1A1MEN1
SCHEMBL3694889 0.78 ALDH1A1 (0.47) ERN1MAPTCYP2A6TDP1ALDH1A1
SCHEMBL15845323 0.78 HPRT1 (0.52) HPRT1ERN1MAPTLMNACYP3A4
SCHEMBL10488359 0.77 CYP2A6 (0.44) ERN1MAPTLMNAPMP22CYP2A6
SCHEMBL3777795 0.76 ALDH1A1 (0.45) ERN1MAPTCYP3A4CYP2A6TDP1
SCHEMBL3697087 0.76 ALDH1A1 (0.45) ERN1MAPTCYP3A4CYP2A6TDP1

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-2460789-B1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL CO (JP) 2017-04-19 EP disclosed
US-9079830-B2 Method for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-07-14 US disclosed
EP-2460789-A1 METHOD FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2012-06-06 EP disclosed
US-20120123154-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-05-17 US disclosed
EP-0039795-A1 Process for the preparation of 1,2-benzisothiazoles BASF Aktiengesellschaft (DE) 1981-11-18 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-20120123154-A1 METHOD FOR PRODUCING BIARYL COMPOUND AKR7A2, AOC2, CBR1 HPRT1 1619/4885ERN1 2479/4885MAPT 2662/4885

“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.