SCHEMBL4829181

SCHEMBL4829181

CCOP(=O)(Cc1ccc(NC(=O)/C=C/c2cn(C)nc2-c2ccc(F)cc2)cc1)OCC

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 14/20 0.46
HDAC2 Q92769 14/20 0.46
MAPT P10636 4/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
RAB9A P51151 1/20 0.42
CSNK1D P48730 1/20 0.40
CSNK1E P49674 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
SCHEMBL4831206 0.90 SMN1; SMN2 (0.54) HDAC1HDAC2MAPTMEN1KMT2A
SCHEMBL4831194 0.88 HDAC1 (0.48) HDAC1HDAC2MAPTALDH1A1CYP1A2
SCHEMBL4831182 0.88 HDAC1 (0.48) HDAC1HDAC2MAPTALDH1A1CYP1A2
SCHEMBL4831387 0.86 BTK (0.39) HDAC1HDAC2MAPTALDH1A1CYP1A2
SCHEMBL4829084 0.85 BTK (0.41) ALDH1A1KDM4ELMNARAB9A
SCHEMBL1060125 0.85 BTK (0.41) ALDH1A1KDM4ELMNARAB9A
SCHEMBL4833440 0.82 BTK (0.42) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL4833430 0.82 BTK (0.42) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL4831310 0.82 CCNC (0.42) HDAC1HDAC2ALDH1A1KMT2AKDM4E
SCHEMBL4834758 0.82 GRM5 (0.39) ALDH1A1CYP1A2CYP2C9LMNARAB9A

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 5 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-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

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 HDAC1 662/4885HDAC2 185/4885MAPT 3203/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 HDAC1 662/4885HDAC2 185/4885MAPT 3203/4885

“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.