SCHEMBL1497019

SCHEMBL1497019

CN(C)CCN(Cc1ccc(C(=O)Nc2cscc2NC(=O)OC(C)(C)C)nc1)C(=O)Nc1ccc2c(c1)OCO2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.40
RAB9A P51151 6/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
ROCK2 O75116 3/20 0.39
KMT2A Q03164 3/20 0.38
GAA P10253 1/20 0.38
HTT P42858 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 4/20 0.37
TAAR1 Q96RJ0 1/20 0.37
MEN1 O00255 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TP53 P04637 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36

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
SCHEMBL1496832 0.96 GAA (0.43) NPC1RAB9ASMN1; SMN2ROCK2KMT2A
SCHEMBL1482175 0.96 RAB9A (0.40) NPC1RAB9ASMN1; SMN2ROCK2KMT2A
SCHEMBL1496841 0.91 RAB9A (0.39) NPC1RAB9ASMN1; SMN2ROCK2KMT2A
SCHEMBL8002465 0.89 ATM (0.44) NPC1RAB9ASMN1; SMN2ROCK2MAPT
SCHEMBL7997914 0.89 FAAH (0.38) NPC1RAB9ASMN1; SMN2GAATAAR1
SCHEMBL3232276 0.89 GAA (0.44) NPC1RAB9ASMN1; SMN2ROCK2KMT2A
SCHEMBL3227875 0.89 RAB9A (0.41) NPC1RAB9ASMN1; SMN2ROCK2KMT2A
SCHEMBL1496949 0.89 TP53 (0.42) NPC1RAB9ASMN1; SMN2KMT2AGAA
SCHEMBL1496998 0.87 RAB9A (0.42) NPC1RAB9ASMN1; SMN2ROCK2KMT2A
SCHEMBL8004078 0.87 ROCK2 (0.42) ROCK2KMT2AGAAMAPTMEN1

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 5 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-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 (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-20120202808-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE CBR1, NAT1, PRMT1 NPC1 2376/4885RAB9A 2610/4885SMN1; SMN2 3619/4885

“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.