SCHEMBL15701656

SCHEMBL15701656

CC(C)c1cc2c(cc1Br)CCN2Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.41
HDAC1 Q13547 3/20 0.41
PTGER4 P35408 1/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SIGMAR1 Q99720 3/20 0.38
HTR2A P28223 3/20 0.38
HTR2C P28335 3/20 0.38
HTR2B P41595 3/20 0.38
DRD3 P35462 1/20 0.37
KCNH2 Q12809 1/20 0.37
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 2/20 0.36
TMEM97 Q5BJF2 2/20 0.36
CYP3A4 P08684 1/20 0.36
NFKB1 P19838 1/20 0.36
HIF1A Q16665 1/20 0.36
TSHR P16473 2/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL15704189 0.84 HDAC1 (0.43) HDAC6HDAC1PTGER4POLBSMN1; SMN2
SCHEMBL15701643 0.79 PTGER4 (0.46) HDAC6HDAC1PTGER4POLBSMN1; SMN2
SCHEMBL14059016 0.78 HDAC6 (0.42) HDAC6HDAC1POLBSMN1; SMN2SIGMAR1
SCHEMBL14149901 0.75 DRD4 (0.46) HDAC6HDAC1POLBSMN1; SMN2SIGMAR1
SCHEMBL14059020 0.70 CA12 (0.56) DRD3KCNH2KMT2A
SCHEMBL15701649 0.68 SIGMAR1 (0.49) SIGMAR1CYP1A2CYP2D6TMEM97CYP3A4
SCHEMBL15524922 0.66 LMNA (0.41) HDAC6HDAC1POLBHTR2AHTR2C
SCHEMBL24885775 0.65 GRM5 (0.41) PTGER4POLBSMN1; SMN2SIGMAR1DRD3
SCHEMBL2088775 0.65 HDAC1 (0.52) HDAC6HDAC1POLBSMN1; SMN2SIGMAR1
SCHEMBL3095188 0.65 ALDH1A1 (0.53) HDAC6HDAC1POLBTSHRKMT2A

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 HDAC6 102/4885HDAC1 336/4885PTGER4 3987/4885

“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.