SCHEMBL2970668

SCHEMBL2970668

O=C(NCCCNc1nsc2ccccc12)c1ccc(-c2cccc(C(F)(F)F)c2)o1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.48
HPGD P15428 2/20 0.47
HSD17B10 Q99714 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
SLC9A1 P19634 1/20 0.43
LMNA P02545 2/20 0.42
GPR52 Q9Y2T5 1/20 0.42
FAAH O00519 1/20 0.41
CTSS P25774 2/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CTSL P07711 1/20 0.40

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
SCHEMBL2968277 0.84 ALDH1A1 (0.54) KMT2AMEN1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL2978913 0.83 ALDH1A1 (0.57) ALDH1A1KDM4ESMN1; SMN2CYP1A2HPGD
SCHEMBL2978519 0.82 ACKR3 (0.46) HDAC6GPR52
SCHEMBL5281970 0.82 SIGMAR1 (0.48) KMT2AMEN1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL2977893 0.82 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL2968383 0.79 ALDH1A1 (0.50) KMT2AMEN1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL2963440 0.77 POLB (0.55) ALDH1A1HDAC1LMNAGPR52
SCHEMBL2977520 0.77 KDM4E (0.47) KMT2AMEN1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL2968294 0.76 THRB (0.54) KMT2AMEN1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL2976615 0.75 EPHX2 (0.47) ALDH1A1HPGDHDAC1HDAC6LMNA

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 14 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-7767671-B2 3-Quinolinecarbonitrile protein kinase inhibitors WYETH (US) 2010-08-03 US disclosed
US-20090062281-A1 3-QUINOLINECARBONITRILE PROTEIN KINASE INHIBITORS WYETH (US) 2009-03-05 US disclosed
US-7449460-B2 3-Quinolinecarbonitrile protein kinase inhibitors WYETH (US) 2008-11-11 US disclosed
EP-1853573-A1 BENZISOTHIAZOLES USEFUL FOR TREATING OR PREVENTING HCV INFECTION Rigel Pharmaceuticals, Inc. (US) 2007-11-14 EP disclosed
US-20060229294-A1 Benzisothiazoles useful for treating or preventing HCV infection RIGEL PHARMACEUTICALS, INC. (US) 2006-10-12 US disclosed
WO-2006091858-A1 BENZISOTHIAZOLES USEFUL FOR TREATING OR PREVENTING HCV INFECTION RIGEL PHARMACEUTICALS, INC. (US) 2006-08-31 WO disclosed
WO-2005082891-A1 -QUINOLINECARBONITRILE PROTEIN KINASE INHIBITORS WYETH (US) 2005-09-09 WO disclosed
US-20050187247-A1 3-Quinolinecarbonitrile protein kinase inhibitors WYETH (US) 2005-08-25 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 (3 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-20090062281-A1 3-QUINOLINECARBONITRILE PROTEIN KINASE INHIBITORS RAF1, KRAS, NRAS KMT2A 2370/4885MEN1 220/4885ALDH1A1 3221/4885
US-20060229294-A1 Benzisothiazoles useful for treating or preventing HCV infection HAVCR2, ZC3HAV1, MAVS KMT2A 2900/4885MEN1 4684/4885ALDH1A1 227/4885
US-20050187247-A1 3-Quinolinecarbonitrile protein kinase inhibitors RAF1, KRAS, NRAS KMT2A 2370/4885MEN1 220/4885ALDH1A1 3221/4885

“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.