SCHEMBL1497048

SCHEMBL1497048

O=C(OCc1ccccc1)c1ccc(CNCCCN2CCOCC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.60
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C19 P33261 1/20 0.53
ALDH1A1 P00352 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
KDM4E B2RXH2 1/20 0.53
MAPK1 P28482 1/20 0.51
TRPV4 Q9HBA0 1/20 0.50
ATM Q13315 1/20 0.50
MAPT P10636 2/20 0.49
LMNA P02545 1/20 0.49
PKM P14618 1/20 0.49
EGFR P00533 1/20 0.48
TACR2 P21452 1/20 0.48

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
SCHEMBL4745319 0.84 CYP2D6 (0.60) POLBMEN1KMT2ACYP3A4CYP2D6
SCHEMBL14068495 0.83 CYP2C19 (0.70) POLBMEN1KMT2ACYP3A4CYP2D6
SCHEMBL3704422 0.82 CYP2C19 (0.74) POLBMEN1KMT2ACYP3A4CYP2D6
SCHEMBL1241370 0.81 BCHE (0.64) ALDH1A1SMN1; SMN2KDM4EATMEGFR
Water SCHEMBL28295097 0.81 CYP2C19 (0.72) POLBMEN1KMT2ACYP3A4CYP2D6
SCHEMBL3175221 0.79 CYP2C19 (0.80) POLBMEN1KMT2ACYP3A4CYP2D6
SCHEMBL1241355 0.78 LTA4H (0.64) ALDH1A1SMN1; SMN2KDM4EATMEGFR
SCHEMBL1463825 0.78 POLB (0.61) POLBMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL1852796 0.77 SMN1; SMN2 (0.74) MEN1KMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL2478030 0.76 KMT2A (0.61) MEN1KMT2AALDH1A1SMN1; SMN2MAPT

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-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
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 POLB 2414/4885MEN1 2127/4885KMT2A 2284/4885
US-20110077244-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE HNMT, HRH4, CHRM1 POLB 3976/4885MEN1 1744/4885KMT2A 2239/4885

“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.