SCHEMBL1496938

SCHEMBL1496938

CN(C)CCCN(Cc1ccc(C(=O)Nc2cscc2N)nc1)C(=O)NC1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.50
KDM4E B2RXH2 2/20 0.40
APOBEC3A P31941 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
ACVR1 Q04771 1/20 0.39
PDCD1 Q15116 4/20 0.38
CD274 Q9NZQ7 4/20 0.38
MLNR O43193 1/20 0.36
HDAC1 Q13547 4/20 0.35
HDAC6 Q9UBN7 2/20 0.35
ATM Q13315 2/20 0.35
HDAC3 O15379 3/20 0.34
HDAC2 Q92769 3/20 0.34
CYP3A4 P08684 2/20 0.33
CYP2C19 P33261 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
HDAC4 P56524 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC10 Q969S8 1/20 0.33

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
SCHEMBL1496884 0.95 GAA (0.43) GAAKDM4EAPOBEC3ACTDSP1APOBEC3G
SCHEMBL1496970 0.91 GAA (0.39) GAAACVR1PDCD1CD274HDAC1
SCHEMBL1497098 0.88 KDM4E (0.39) GAAKDM4EAPOBEC3ACTDSP1APOBEC3G
SCHEMBL1496952 0.87 SLC2A1 (0.42) GAAKDM4EAPOBEC3ACTDSP1APOBEC3G
SCHEMBL1497154 0.86 GAA (0.47) GAAKDM4EAPOBEC3ACTDSP1APOBEC3G
SCHEMBL1482918 0.86 KDM4E (0.43) GAAKDM4EACVR1MLNRHDAC1
SCHEMBL1497121 0.85 KDM4E (0.40) GAAKDM4EAPOBEC3ACTDSP1APOBEC3G
SCHEMBL1482709 0.85 KDM4E (0.45) GAAKDM4EACVR1NPSR1USP2
SCHEMBL1496957 0.84 KDM4E (0.43) GAAKDM4EACVR1NPSR1USP2
SCHEMBL1497084 0.84 ALDH1A1 (0.46) GAAKDM4EACVR1NPSR1USP2

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 7 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
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 GAA 4745/4885KDM4E 2885/4885APOBEC3A 2847/4885
US-20110077244-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE HNMT, HRH4, CHRM1 GAA 2968/4885KDM4E 2194/4885APOBEC3A 4565/4885

“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.