SCHEMBL15701643

SCHEMBL15701643

CC(C)c1ccc2c(c1)CCN2Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.46
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SIGMAR1 Q99720 3/20 0.40
TMEM97 Q5BJF2 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
DRD3 P35462 1/20 0.39
KCNH2 Q12809 1/20 0.39
ALOX5 P09917 5/20 0.38
EPHX2 P34913 5/20 0.38
HDAC1 Q13547 3/20 0.38
HDAC6 Q9UBN7 3/20 0.38
KCNT1 Q5JUK3 1/20 0.38
HDAC8 Q9BY41 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37

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
SCHEMBL15701649 0.88 SIGMAR1 (0.49) SIGMAR1TMEM97CYP1A2CYP2D6
SCHEMBL15701829 0.84 HTR2A (0.40) PTGER4POLBALOX5EPHX2HDAC1
SCHEMBL15701646 0.84 ADRB2 (0.47) ALOX5EPHX2HTR2AHTR2C
SCHEMBL14149901 0.83 DRD4 (0.46) POLBSMN1; SMN2SIGMAR1TMEM97CYP1A2
SCHEMBL15701647 0.82 ALDH1A1 (0.41) ALOX5EPHX2HDAC1HDAC6KCNT1
SCHEMBL15524922 0.82 LMNA (0.41) POLBALOX5EPHX2HDAC1HDAC6
SCHEMBL15701656 0.79 HDAC6 (0.41) PTGER4POLBSMN1; SMN2SIGMAR1TMEM97
SCHEMBL15701654 0.78 ALOX5 (0.36) POLBALOX5EPHX2KCNT1HTR2A
SCHEMBL3095188 0.78 ALDH1A1 (0.53) POLBHDAC1HDAC6HDAC8HDAC3
SCHEMBL15701648 0.77 TP53 (0.52) POLBSMN1; SMN2HTR2AHTR2C

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-9346795-B2 Substituted sulfonamides useful as antiapoptotic Bcl inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-05-24 US disclosed
US-20140135318-A1 SUBSTITUTED SULFONAMIDES USEFUL AS ANTIAPOPTOTIC BCL INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-15 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-20140135318-A1 SUBSTITUTED SULFONAMIDES USEFUL AS ANTIAPOPTOTIC BCL INHIBITORS BCL2, BAX, BCL2A1 PTGER4 3987/4885POLB 2219/4885SMN1; SMN2 600/4885

“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.