SCHEMBL1496859

SCHEMBL1496859

CC(C)NC(=O)N(CCCN1CCN(C)CC1)Cc1ccc(C(=O)Nc2cscc2NC(=O)OC(C)(C)C)nc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 4/20 0.38
SLC2A1 P11166 3/20 0.38
ATM Q13315 1/20 0.37
USP2 O75604 1/20 0.35
CSF1R P07333 1/20 0.35
FLT3 P36888 1/20 0.35
MCHR1 Q99705 3/20 0.35
HRH3 Q9Y5N1 1/20 0.35
ABL1 P00519 1/20 0.35
SRC P12931 1/20 0.35
HRH2 P25021 2/20 0.34
HRH1 P35367 2/20 0.34
ROCK2 O75116 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL1496879 0.95 CSF1R (0.36) AVPR1ASLC2A1ATMCSF1RFLT3
SCHEMBL1496870 0.94 AVPR1A (0.37) AVPR1ASLC2A1USP2CSF1RFLT3
SCHEMBL3233856 0.93 AVPR1A (0.42) AVPR1ASLC2A1USP2MCHR1ABL1
SCHEMBL1496873 0.93 USP2 (0.44) ATMUSP2HRH3ROCK2TSHR
SCHEMBL1497074 0.91 USP2 (0.42) ATMUSP2HRH3ROCK2TSHR
SCHEMBL8007884 0.90 USP2 (0.40) AVPR1AUSP2CSF1RFLT3ABL1
SCHEMBL1497087 0.89 SLC2A1 (0.41) AVPR1ASLC2A1USP2CSF1RFLT3
SCHEMBL1496887 0.89 HDAC1 (0.40) AVPR1AUSP2CSF1RFLT3ABL1
SCHEMBL3233734 0.89 MCHR1 (0.39) AVPR1ACSF1RFLT3MCHR1HRH3
SCHEMBL11892997 0.88 AVPR1A (0.36) AVPR1ASLC2A1USP2CSF1RFLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288380-B2 Thiophenediamine derivative having urea structure SANTEN PHARMACEUTICAL CO., LTD. (JP) 2012-10-16 US disclosed
US-20120202808-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE SANTEN PHARMACEUTICAL CO., LTD. (JP) 2012-08-09 US disclosed
US-20120202808-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE SANTEN PHARMACEUTICAL CO., LTD. (JP) 2012-08-09 US disclosed
EP-2292611-B1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE SANTEN PHARMACEUTICAL CO LTD (JP) 2012-07-25 EP disclosed
US-8198271-B2 Thiophenediamine derivative having urea structure SANTEN PHARMACEUTICAL CO., LTD. (JP) 2012-06-12 US disclosed
US-20110077244-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-03-31 US disclosed
EP-2292611-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE Santen Pharmaceutical Co., Ltd (JP) 2011-03-09 EP disclosed
WO-2009142321-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE 参天製薬株式会社 (JP) 2009-11-26 WO 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 (2 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-20120202808-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE CBR1, NAT1, PRMT1 AVPR1A 1700/4885SLC2A1 3004/4885ATM 1607/4885
US-20110077244-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE HNMT, HRH4, CHRM1 AVPR1A 548/4885SLC2A1 1757/4885ATM 2364/4885

“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.