SCHEMBL2963440

SCHEMBL2963440

O=C(NCCNc1nsc2ccccc12)c1cccc(C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.55
ALDH1A1 P00352 1/20 0.55
TP53BP1 Q12888 1/20 0.50
NAMPT P43490 1/20 0.47
TP53 P04637 1/20 0.47
GPR52 Q9Y2T5 1/20 0.47
AURKB Q96GD4 1/20 0.46
EPHX2 P34913 1/20 0.46
LMNA P02545 1/20 0.45
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
ABL1 P00519 1/20 0.44
BCR P11274 1/20 0.44

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
SCHEMBL2963511 0.92 TACR1 (0.49) POLBALDH1A1TP53BP1TP53GPR52
SCHEMBL2969983 0.90 EPHX2 (0.55) NAMPTTP53EPHX2HDAC1
SCHEMBL2966982 0.89 EPHX2 (0.47) POLBALDH1A1TP53GPR52EPHX2
SCHEMBL2977374 0.89 EPHX2 (0.44) POLBALDH1A1NAMPTTP53EPHX2
SCHEMBL2974074 0.85 HTR1A (0.51) POLBALDH1A1TP53LMNA
SCHEMBL2966927 0.84 EPHX2 (0.46) ALDH1A1TP53EPHX2LMNA
SCHEMBL2972643 0.84 EPHX2 (0.46) POLBALDH1A1TP53EPHX2LMNA
SCHEMBL2963495 0.84 EPHX2 (0.46) ALDH1A1TP53AURKBEPHX2
SCHEMBL2973242 0.84 MAPT (0.45) POLBALDH1A1TP53LMNAHDAC3
SCHEMBL2978054 0.83 EPHX2 (0.46) TP53EPHX2LMNAHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1853573-A1 BENZISOTHIAZOLES USEFUL FOR TREATING OR PREVENTING HCV INFECTION Rigel Pharmaceuticals, Inc. (US) 2007-11-14 EP claimed
US-20060229294-A1 Benzisothiazoles useful for treating or preventing HCV infection RIGEL PHARMACEUTICALS, INC. (US) 2006-10-12 US claimed
WO-2006091858-A1 BENZISOTHIAZOLES USEFUL FOR TREATING OR PREVENTING HCV INFECTION RIGEL PHARMACEUTICALS, INC. (US) 2006-08-31 WO claimed
US-7776847-B2 Benzisothiazoles useful for treating or preventing HCV infection RIGEL PHARMACEUTICALS, INC. (US) 2010-08-17 US disclosed
US-7776847-B2 Benzisothiazoles useful for treating or preventing HCV infection RIGEL PHARMACEUTICALS, INC. (US) 2010-08-17 US disclosed
US-7776847-B2 Benzisothiazoles useful for treating or preventing HCV infection RIGEL PHARMACEUTICALS, INC. (US) 2010-08-17 US disclosed
US-20060229294-A1 Benzisothiazoles useful for treating or preventing HCV infection RIGEL PHARMACEUTICALS, INC. (US) 2006-10-12 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-20060229294-A1 Benzisothiazoles useful for treating or preventing HCV infection HAVCR2, ZC3HAV1, MAVS POLB 1347/4885ALDH1A1 227/4885TP53BP1 759/4885

“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.