SCHEMBL3585659

SCHEMBL3585659

CCOC(=O)C1CCN(C(=O)c2ccc(OC3CCN(CC(O)(c4cn(Cc5ccccc5)c5cc([N+](=O)[O-])ccc45)C(F)(F)F)CC3)c(OC)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.41
ALDH1A1 P00352 7/20 0.39
KDM4E B2RXH2 2/20 0.39
GLA P06280 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.36
POLB P06746 2/20 0.36
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
ATM Q13315 2/20 0.35
MEN1 O00255 2/20 0.35
PKM P14618 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
TP53 P04637 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL3585336 0.94 ALDH1A1 (0.41) KMT2AALDH1A1KDM4ELMNAHTT
SCHEMBL3599012 0.93 ALDH1A1 (0.48) KMT2AALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL3592312 0.91 MAPT (0.37) KMT2AALDH1A1SMN1; SMN2MAPTPOLB
SCHEMBL3602397 0.89 ALDH1A1 (0.40) KMT2AALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL3587526 0.89 CCR5 (0.39) KMT2AALDH1A1KDM4EPOLBMEN1
SCHEMBL3598761 0.88 ALDH1A1 (0.39) KMT2AALDH1A1KDM4ESMN1; SMN2POLB
SCHEMBL3600445 0.88 CCR5 (0.38) KMT2AALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL3593561 0.87 CCR5 (0.37) KMT2ASMN1; SMN2POLBLMNAMEN1
SCHEMBL3598453 0.87 ALDH1A1 (0.43) KMT2AALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL3597453 0.87 POLB (0.35) KMT2AALDH1A1MAPTPOLBTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-29 US disclosed
EP-1930320-A1 NOVEL FUSED PYRROLE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-06-11 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-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE NR3C1, NR3C2, NR0B1 KMT2A 4721/4885ALDH1A1 4118/4885KDM4E 1967/4885

“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.