SCHEMBL2962075

SCHEMBL2962075

O=C(NCCCNc1nsc2ncccc12)c1cccc(I)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53BP1 Q12888 1/20 0.49
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
F2 P00734 1/20 0.38
CFTR P13569 2/20 0.37
RXFP1 Q9HBX9 1/20 0.36
KDM4B O94953 1/20 0.36
DRD2 P14416 1/20 0.35
DRD3 P35462 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
SCHEMBL2973135 0.86 KMT2A (0.60) KMT2AMEN1TDP1CFTRDRD2
SCHEMBL2966548 0.85 TP53BP1 (0.53) TP53BP1HDAC1HDAC2SMN1; SMN2DRD2
SCHEMBL2973894 0.84 TP53BP1 (0.49) TP53BP1KMT2AMEN1TDP1HDAC1
SCHEMBL2962576 0.83 PTAFR (0.44) KMT2AMEN1TDP1SMN1; SMN2CFTR
SCHEMBL2977522 0.83 SIRT2 (0.49) KMT2AMEN1TDP1HDAC1HDAC2
SCHEMBL2967293 0.83 MCHR1 (0.48) KMT2AMEN1TDP1HDAC1CFTR
SCHEMBL2972800 0.81 KMT2A (0.50) KMT2AMEN1TDP1CFTR
SCHEMBL2967274 0.80 BRD4 (0.44) KMT2ASMN1; SMN2
SCHEMBL2977056 0.80 POLB (0.46) KMT2ATDP1HDAC1SMN1; SMN2
SCHEMBL2963816 0.80 NPC1 (0.47) KMT2AMEN1TDP1SMN1; SMN2

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 16 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-8410087-B2 Indole compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-04-02 US disclosed
EP-2508524-A2 Indole compound Takeda Pharmaceutical Company Limited (JP) 2012-10-10 EP 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-7776847-B2 Benzisothiazoles useful for treating or preventing HCV infection RIGEL PHARMACEUTICALS, INC. (US) 2010-08-17 US disclosed
US-7777047-B2 Indole compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-17 US disclosed
US-20100144702-A1 INDOLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-10 US disclosed
US-20100137610-A1 Indole compound YASUMA TSUNEO 2010-06-03 US disclosed
US-7718798-B2 Indole compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-18 US disclosed
US-7652133-B2 Indole compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-26 US disclosed
US-20090286975-A1 Indole compound YASUMA TSUNEO 2009-11-19 US disclosed
US-20080096877-A1 Glucokinase activators; prophylaxis or treatment of diabetes, obesity; sulfonamide or sulfonate-functional thiazole or thiadiazole-substituted indoles; N,N-dimethyl-2-{4-[(2-{7-[methyl(2-thienylsulfonyl)amino]-1H-indol-2-yl}-1,3-thiazol-5-yl)methyl]piperazin-1-yl}acetamide for example TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-04-24 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 (5 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-20100144702-A1 INDOLE COMPOUND GCKR, GPR119, SLC5A1 TP53BP1 3556/4885KMT2A 507/4885MEN1 2138/4885
US-20100137610-A1 Indole compound GCKR, GPR119, SLC5A1 TP53BP1 3556/4885KMT2A 507/4885MEN1 2138/4885
US-20060229294-A1 Benzisothiazoles useful for treating or preventing HCV infection HAVCR2, ZC3HAV1, MAVS TP53BP1 759/4885KMT2A 2900/4885MEN1 4684/4885
US-20090286975-A1 Indole compound GCKR, GPR119, SLC5A1 TP53BP1 3556/4885KMT2A 507/4885MEN1 2138/4885
US-20080096877-A1 Glucokinase activators; prophylaxis or treatment of diabetes, obesity; sulfonamide or sulfonate-functional thiazole or thiadiazole-substituted indoles; N,N-dimethyl-2-{4-[(2-{7-[methyl(2-thienylsulfonyl)amino]-1H-indol-2-yl}-1,3-thiazol-5-yl)methyl]piperazin-1-yl}acetamide for example GCKR, GCK, KHK TP53BP1 3820/4885KMT2A 520/4885MEN1 3693/4885

“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.