SCHEMBL2399304

SCHEMBL2399304

O=C(NCc1cccs1)C1=NOC2(CCN(C(=O)COc3cccc(Cl)c3)CC2)C1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 1/20 0.48
POLB P06746 2/20 0.42
RAB9A P51151 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ENPP2 Q13822 4/20 0.41
MAPT P10636 1/20 0.41
ALDH1A1 P00352 5/20 0.40
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
EPHX2 P34913 1/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL2402439 0.88 ALDH1A1 (0.52) FKBP1APOLBRAB9AENPP2MAPT
SCHEMBL6413986 0.87 FKBP1A (0.46) FKBP1APOLBRAB9AKDM4EENPP2
SCHEMBL2401978 0.84 RAB9A (0.45) POLBRAB9AKDM4EMAPTALDH1A1
SCHEMBL6411459 0.83 FKBP1A (0.58) FKBP1APOLBKDM4EENPP2MAPT
SCHEMBL2405040 0.81 PKM (0.47) POLBRAB9AKDM4EMAPTALDH1A1
SCHEMBL2402651 0.80 HPGD (0.43) RAB9AKDM4EMAPTALDH1A1LMNA
SCHEMBL6785148 0.80 HPGD (0.40) RAB9AKDM4EMAPTALDH1A1MEN1
SCHEMBL2403261 0.78 HTR1A (0.45) KDM4EALDH1A1
SCHEMBL2575305 0.77 SMN1; SMN2 (0.45) POLBKDM4EMAPTALDH1A1LMNA
SCHEMBL2401308 0.76 HPGD (0.41) POLBKDM4EALDH1A1LMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8048890-B2 Analgesics; neuropathic pain; headaches; muscle relaxants; incontence; tinnitus; diarrhea; antiarrhythmia agents; antiischemic agents; antiinflammatory agents; antiulcer agents; antidepressants; antiepileptic agents GRUENENTHAL GMBH (DE) 2011-11-01 US claimed
US-8048890-B2 Analgesics; neuropathic pain; headaches; muscle relaxants; incontence; tinnitus; diarrhea; antiarrhythmia agents; antiischemic agents; antiinflammatory agents; antiulcer agents; antidepressants; antiepileptic agents GRUENENTHAL GMBH (DE) 2011-11-01 US disclosed
US-20110224172-A1 Substituted 1-Oxa-2,8-Diaza-Spiro [4,5] Dec-2-Ene Derivatives and Related Treatment Methods GRUENENTHAL GMBH (DE) 2011-09-15 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-20110224172-A1 Substituted 1-Oxa-2,8-Diaza-Spiro [4,5] Dec-2-Ene Derivatives and Related Treatment Methods SULT1E1, DECR1, CYP8B1 FKBP1A 3177/4885POLB 1636/4885RAB9A 2221/4885

“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.