SCHEMBL3707718

SCHEMBL3707718

COc1ccc2ncc(SCCN3CCC(C(N)=O)CC3)nc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
NPSR1 Q6W5P4 1/20 0.46
ALDH1A1 P00352 3/20 0.45
HSD17B10 Q99714 2/20 0.45
KDM4E B2RXH2 3/20 0.44
HPGD P15428 1/20 0.44
KCNH2 Q12809 1/20 0.42
LTA4H P09960 2/20 0.41
MAPT P10636 2/20 0.41
FGFR1 P11362 3/20 0.41
FGFR2 P21802 3/20 0.41
FGFR4 P22455 3/20 0.41
FGFR3 P22607 3/20 0.41
KDR P35968 3/20 0.41
CCNE2 O96020 1/20 0.41
CDK4 P11802 1/20 0.41
PRKACA P17612 1/20 0.41
PRKACG P22612 1/20 0.41
PRKACB P22694 1/20 0.41
CCND1 P24385 1/20 0.41

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
SCHEMBL15662294 0.89 FGFR1 (0.52) KMT2AALDH1A1KDM4EKCNH2FGFR1
SCHEMBL620404 0.87 FGFR3 (0.47) KCNH2LTA4HFGFR1FGFR2FGFR4
SCHEMBL621993 0.85 FGFR1 (0.39) KCNH2FGFR1FGFR2FGFR4FGFR3
SCHEMBL621994 0.83 FGFR1 (0.41) ALDH1A1HSD17B10KCNH2FGFR1FGFR2
SCHEMBL15662900 0.82 LTA4H (0.49) KMT2ANPSR1ALDH1A1HSD17B10KDM4E
SCHEMBL3805548 0.81 KCNH2 (0.42) KMT2AALDH1A1KDM4EKCNH2MAPT
SCHEMBL620713 0.81 PIK3CA (0.43) FGFR4
SCHEMBL1742281 0.81 FGFR1 (0.41) KMT2ANPSR1ALDH1A1HSD17B10KDM4E
SCHEMBL622022 0.81 FGFR1 (0.41) KMT2ANPSR1ALDH1A1HSD17B10KDM4E
SCHEMBL15662647 0.80 KCNH2 (0.39) KCNH2FGFR1FGFR2FGFR4FGFR3

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-8716280-B2 Bicyclic antibiotics BASILEA PHARMACEUTICA AG (CH) 2014-05-06 US claimed
US-9133219-B2 Bicyclic antibiotics BASILEA PHARMACEUTICA AG (CH) 2015-09-15 US disclosed
US-20150080373-A1 NOVEL BICYCLIC ANTIBIOTICS Basiliea Pharmaceutica AG 2015-03-19 US disclosed
US-8927542-B2 Bicyclic antibiotics BASILEA PHARMACEUTICA AG (CH) 2015-01-06 US disclosed
US-20140221348-A1 NOVEL BICYCLIC ANTIBIOTICS BASILEA PHARMACEUTICA AG (CH) 2014-08-07 US disclosed
US-8716280-B2 Bicyclic antibiotics BASILEA PHARMACEUTICA AG (CH) 2014-05-06 US disclosed
WO-2010084152-A1 NOVEL BICYCLIC ANTIBIOTICS BASILEA PHARMACEUTICA AG (CH) 2010-07-29 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-20140221348-A1 NOVEL BICYCLIC ANTIBIOTICS C1S, XPA, XDH KMT2A 3261/4885NPSR1 2197/4885ALDH1A1 4353/4885
US-20150080373-A1 NOVEL BICYCLIC ANTIBIOTICS C1S, XPA, XDH KMT2A 3261/4885NPSR1 2197/4885ALDH1A1 4353/4885

“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.