SCHEMBL3672501

SCHEMBL3672501

Cc1ccc(C(=O)N2CCN(c3ccc(C(=O)NC(C)CC(C)C)cn3)CC2)c(C)c1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.58
LMNA P02545 1/20 0.58
HTT P42858 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
SCD O00767 2/20 0.49
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
FASN P49327 4/20 0.42
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
PANK3 Q9H999 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
P2RY12 Q9H244 1/20 0.41
ENPP2 Q13822 1/20 0.41
USP30 Q70CQ3 1/20 0.40

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
SCHEMBL3675641 0.90 KDM4E (0.57) KDM4ELMNAHTTSMN1; SMN2SCD
SCHEMBL3672604 0.86 LMNA (0.53) KDM4ELMNAHTTSMN1; SMN2SCD
SCHEMBL3672107 0.85 L3MBTL1 (0.50) KDM4ELMNAHTTSMN1; SMN2SCD
SCHEMBL3672187 0.83 SCD (0.50) KDM4ELMNAHTTSMN1; SMN2SCD
SCHEMBL3673446 0.83 HSD17B10 (0.53) KDM4ELMNASCDMEN1KMT2A
SCHEMBL3675010 0.83 SCD (0.56) KDM4ELMNAHTTSMN1; SMN2SCD
SCHEMBL3674781 0.83 SCD (0.47) KDM4ESCDMEN1KMT2ACYP1A2
SCHEMBL3671352 0.82 SCD (0.45) KDM4ELMNASMN1; SMN2SCDMEN1
SCHEMBL3670474 0.82 KDM4E (0.57) KDM4ELMNAHTTSMN1; SMN2SCD
SCHEMBL3670359 0.82 KDM4E (0.54) KDM4ESMN1; SMN2SCDMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1763350-B1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2011-12-21 EP claimed
US-20090197894-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2009-08-06 US claimed
US-20050119251-A1 Nicotinamide derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2005-06-02 US claimed
EP-1763350-B1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2011-12-21 EP disclosed
EP-2266566-A2 Nicotinamide derivatives and their use as therapeutic agents Xenon Pharmaceuticals Inc. (CA) 2010-12-29 EP disclosed
US-20090197894-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2009-08-06 US disclosed
US-20070087363-A1 Therapeutic methods, compounds and compositions MYRIAD GENETICS, INCORPORATED (US) 2007-04-19 US disclosed
US-20050119251-A1 Nicotinamide derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2005-06-02 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 (3 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-20050119251-A1 Nicotinamide derivatives and their use as therapeutic agents NAMPT, NNT, NNMT KDM4E 3385/4885LMNA 175/4885HTT 1288/4885
US-20070087363-A1 Therapeutic methods, compounds and compositions APP, BACE1, PSEN1 KDM4E 4395/4885LMNA 369/4885HTT 8/4885
US-20090197894-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS NAMPT, NNT, NNMT KDM4E 3385/4885LMNA 175/4885HTT 1288/4885

“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.