SCHEMBL3987076

SCHEMBL3987076

[c]1nnsc1-c1ccon1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
NPC1 O15118 2/20 0.30
RAB9A P51151 2/20 0.30
MAPT P10636 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP19A1 P11511 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
CHRM1 P11229 1/20 0.30

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
SCHEMBL3082762 0.68 NPC1 (0.42) KDM4ENPC1RAB9AMAPTCYP1A2
SCHEMBL6333199 0.67 KDM4E (0.36) KDM4ENPC1RAB9AMAPTCYP1A2
SCHEMBL17028970 0.65 KDM4E (0.33) KDM4ENPC1RAB9AMAPTCYP1A2
SCHEMBL5464859 0.65 KMO (0.31)
SCHEMBL1169059 0.64 KDM4E (0.34) KDM4ENPC1RAB9AMAPTCYP1A2
SCHEMBL5035031 0.64 LMNA (0.40) NPC1RAB9AMAPTCYP1A2CYP2C9
SCHEMBL4059081 0.62 CYP1A2 (0.57) KDM4ENPC1RAB9AMAPTCYP1A2
SCHEMBL3674913 0.61 KDM4E (0.33) KDM4ENPC1RAB9AMAPTCYP1A2
SCHEMBL5930335 0.61 KDM4E (0.33) KDM4ENPC1RAB9AMAPTCYP1A2
SCHEMBL8491506 0.61 KDM4E (0.39) KDM4ENPC1RAB9AMAPTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2059305-A2 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE Novartis Ag (CH) 2009-05-20 EP claimed
WO-2008014307-A2 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE NOVARTIS AG (CH) 2008-01-31 WO claimed
US-20150329864-A1 DESIGN OF OLIGONUCLEOTIDE ANALOGS AS THERAPEUTIC AGENTS SPRING BANK PHARMACEUTICALS, INC. (US) 2015-11-19 US disclosed
US-20050239801-A1 Novel compounds ASTRAZENECA AB (SE) 2005-10-27 US 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-20050239801-A1 Novel compounds CHRM2, CHRM1, C1R KDM4E 1795/4885NPC1 128/4885RAB9A 467/4885

“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.