SCHEMBL1496842

SCHEMBL1496842

Cc1cccc(NC(=O)N(CCCN(C)C)Cc2ccc(C(=O)Nc3cscc3NC(=O)OC(C)(C)C)nc2)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
MITF O75030 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ROCK2 O75116 4/20 0.37
PDCD1 Q15116 3/20 0.37
CD274 Q9NZQ7 3/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
MAPT P10636 2/20 0.36
ROCK1 Q13464 1/20 0.35
RAB9A P51151 1/20 0.35
KDM4E B2RXH2 2/20 0.35
AURKA O14965 1/20 0.35
ALK Q9UM73 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL1496858 0.95 MEN1 (0.41) KMT2AALDH1A1MEN1LMNASMN1; SMN2
SCHEMBL3233986 0.94 HDAC1 (0.42) KMT2AMITFALDH1A1MEN1LMNA
SCHEMBL1496864 0.92 ROCK2 (0.43) KMT2AMITFLMNASMN1; SMN2ROCK2
SCHEMBL11892993 0.89 ROCK2 (0.39) KMT2AMITFROCK2PDCD1CD274
SCHEMBL1496833 0.89 HDAC1 (0.38) ROCK2PDCD1CD274HDAC1HDAC6
SCHEMBL3224939 0.89 MEN1 (0.42) KMT2AALDH1A1MEN1LMNASMN1; SMN2
SCHEMBL1496977 0.89 ROCK2 (0.40) KMT2AMITFSMN1; SMN2ROCK2HDAC1
SCHEMBL1497001 0.88 TSHR (0.44) KMT2AALDH1A1MEN1LMNASMN1; SMN2
SCHEMBL1496905 0.88 ROCK2 (0.39) ALDH1A1ROCK2PDCD1CD274HDAC1
SCHEMBL1496834 0.88 ROCK2 (0.46) LMNASMN1; SMN2ROCK2PDCD1CD274

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 9 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
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
EP-2292611-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE Santen Pharmaceutical Co., Ltd (JP) 2011-03-09 EP 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 KMT2A 2284/4885MITF 1364/4885ALDH1A1 1240/4885
US-20110077244-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE HNMT, HRH4, CHRM1 KMT2A 2239/4885MITF 201/4885ALDH1A1 829/4885

“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.