SCHEMBL4753301

SCHEMBL4753301

COc1ccc(C(=O)N2CCNCC2)c(OC)c1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.59
HTT P42858 1/20 0.59
CPS1 P31327 2/20 0.57
HSD11B1 P28845 1/20 0.57
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
ABCB1 P08183 1/20 0.54
GFER P55789 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
LMNA P02545 1/20 0.51
HPGD P15428 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
NPC1 O15118 1/20 0.50

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
SCHEMBL19431552 0.86 LMNA (0.53) TSHRHTTKDM4EALDH1A1GFER
SCHEMBL29944001 0.85 HPGD (0.68) TSHRHTTCPS1HSD11B1KDM4E
SCHEMBL6710672 0.85 HPGD (0.68) TSHRHTTCPS1HSD11B1KDM4E
SCHEMBL18754001 0.84 ALDH1A1 (0.55) TSHRHTTKDM4EALDH1A1GFER
SCHEMBL19243927 0.84 LMNA (0.50) TSHRHTTKDM4EALDH1A1GFER
SCHEMBL3882603 0.84 TSHR (0.60) TSHRHTTCPS1HSD11B1KDM4E
SCHEMBL1797086 0.83 TSHR (0.59) TSHRHTTCPS1HSD11B1KDM4E
SCHEMBL10090782 0.82 CPS1 (0.53) CPS1KDM4EALDH1A1LMNAHPGD
SCHEMBL3879160 0.82 TSHR (0.58) TSHRHTTCPS1HSD11B1KDM4E
SCHEMBL1515866 0.82 KMT2A (0.55) HTTCPS1KDM4EALDH1A1HPGD

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
US-8404689-B2 Heterocyclic amide compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-26 US disclosed
US-7935696-B2 e.g. 5-(4-Chlorophenyl)-N-(5-(cyclopropylcarbamoyl)-2-methylphenyl)furan-2-carboxamide; p38 alpha and beta kinase inhibitor; antiinflammatory agent; asthma, inflammatory bowel disease, osteoporosis, psoriasis, graft vs. host rejection, atherosclerosis, multiple myeloma, pain, myocardial ischemia BRISTOL-MYERS SQUIBB COMPANY (US) 2011-05-03 US disclosed
WO-2008147864-A2 METHODS OF USING PIPERAZINE COMPOUNDS IN TREATING SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS XENON PHARMACEUTICALS INC. (CA) 2008-12-04 WO disclosed
US-20080171741-A1 HETEROCYCLIC AMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-07-17 US disclosed
EP-0242957-B1 1-SUBSTITUTED ALKYL-1, 2-DIHYDRO-2-PYRAZINONE DERIVATIVES TOYO JOZO KABUSHIKI KAISHA (JP) 1990-09-12 EP disclosed
US-4877875-A ANTIAGGLOMERANTS, VASODILATORS TOYO JOZO KABUSHIKI KAISHA (JP) 1989-10-31 US disclosed
US-4837319-A VASODILATORS, ANTICOAGULANTS TOYO JOZO KABUSHIKI KAISHA (JP) 1989-06-06 US disclosed
EP-0242957-A1 1-Substituted Alkyl-1, 2-Dihydro-2-Pyrazinone derivatives TOYO JOZO KABUSHIKI KAISHA (JP) 1987-10-28 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-20080171741-A1 HETEROCYCLIC AMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS MAP3K1, MAP3K8, MAP3K20 TSHR 2799/4885HTT 4712/4885CPS1 1260/4885

“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.