SCHEMBL4831158

SCHEMBL4831158

CCC(CC)(c1ccc(NC(=O)C=Cc2cnn(C)c2-c2ccco2)cc1)P(=O)(O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 9/20 0.37
▸ NPC1 O15118 8/20 0.37
▸ MEN1 O00255 6/20 0.37
▸ KMT2A Q03164 6/20 0.37
▸ MAPT P10636 5/20 0.37
▸ SMN1; SMN2 Q16637 4/20 0.37
▸ ALDH1A1 P00352 8/20 0.36
▸ HPGD P15428 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ CCNC P24863 2/20 0.36
▸ CDK8 P49336 2/20 0.36
▸ POLB P06746 4/20 0.36
▸ TDP1 Q9NUW8 4/20 0.36
▸ TP53 P04637 1/20 0.36
▸ CDK19 Q9BWU1 1/20 0.36
▸ L3MBTL1 Q9Y468 4/20 0.36
▸ LMNA P02545 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ NAMPT P43490 2/20 0.34

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
SCHEMBL4831143 1.00 RAB9A (0.37) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL4831287 0.88 MAPT (0.38) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL4831309 0.88 MAPT (0.38) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL4829167 0.85 CCNC (0.44) RAB9AMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL4829188 0.85 CCNC (0.44) RAB9AMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL4836324 0.84 MAPT (0.41) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL4836344 0.84 MAPT (0.41) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL4829186 0.83 HDAC1 (0.39) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL4829207 0.83 HDAC1 (0.39) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL964306 0.82 MAPT (0.39) RAB9ANPC1MEN1KMT2AMAPT

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 RAB9A 4059/4885NPC1 1170/4885MEN1 3516/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 RAB9A 4059/4885NPC1 1170/4885MEN1 3516/4885

“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.

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