SCHEMBL4829235

SCHEMBL4829235

Cn1ncc(C=O)c1-c1cccc(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.44
WDR77 Q9BQA1 1/20 0.44
IDO1 P14902 1/20 0.43
HTR2A P28223 1/20 0.42
TGFBR1 P36897 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 1/20 0.41
MAPT P10636 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
GRM5 P41594 1/20 0.38
ALPI P09923 1/20 0.38
ALPG P10696 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
KDM4C Q9H3R0 1/20 0.37

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
SCHEMBL4834049 0.82 CCNC (0.46) PRMT5WDR77HTR2AMAPTALDH1A1
SCHEMBL4834032 0.82 CCNC (0.46) PRMT5WDR77HTR2AMAPTALDH1A1
SCHEMBL4833849 0.82 PRMT5 (0.44) PRMT5WDR77IDO1HTR2ATGFBR1
SCHEMBL4829107 0.81 PRMT5 (0.40) PRMT5WDR77HTR2AMAPTALDH1A1
SCHEMBL4836837 0.81 LMNA (0.46) PRMT5WDR77MAPTALDH1A1HPGD
SCHEMBL23087863 0.77 HTR2A (0.60) PRMT5WDR77IDO1HTR2ATGFBR1
SCHEMBL404089 0.77 PRMT5 (0.46) PRMT5WDR77IDO1HTR2ATGFBR1
SCHEMBL4833921 0.76 ERN1 (0.47) CYP1A2CYP2C9CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL31626464 0.75 ALDH1A1 (0.48) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL5449991 0.73 KDR (0.52) PRMT5WDR77IDO1

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-20080287438-A1 Agent for preventing or treating neuropathy MOMOSE YU 2008-11-20 US disclosed
US-7423159-B2 Agent for preventing or treating neuropathy TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-09-09 US disclosed
US-20060004069-A1 Agent for preventing or treating neuropathy TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-05 US disclosed
EP-1605949-A2 MESOPROGESTINS (PROGESTERONE RECEPTOR MODULATORS) AS A COMPONENT OF FEMALE CONTRACEPTIVES Schering Aktiengesellschaft (DE) 2005-12-21 EP disclosed
EP-1556032-A1 AGENT FOR PREVENTING OR TREATING NEUROPATHY Takeda Pharmaceutical Company Limited (JP) 2005-07-27 EP disclosed
WO-2004039365-A1 AGENT FOR PREVENTING OR TREATING NEUROPATHY TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-05-13 WO disclosed
WO-2001026603-A2 MESOPROGESTINS (PROGESTERONE RECEPTOR MODULATORS) AS A COMPONENT OF FEMALE CONTRACEPTIVES JENAPHARM GMBH & CO. KG (DE) 2001-04-19 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-20060004069-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 PRMT5 1308/4885WDR77 2581/4885IDO1 2196/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 PRMT5 1308/4885WDR77 2581/4885IDO1 2196/4885

“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.