SCHEMBL4834245

SCHEMBL4834245

O=C(O)/C=C/c1nncn1-c1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 4/20 0.39
MAPT P10636 3/20 0.39
MEN1 O00255 3/20 0.39
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CA2 P00918 1/20 0.36
CA5A P35218 1/20 0.36
CA9 Q16790 1/20 0.36
TDO2 P48775 1/20 0.35
HSD11B1 P28845 1/20 0.35
KDM4E B2RXH2 1/20 0.35
PTGS2 P35354 1/20 0.33
HCAR1 Q9BXC0 1/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33

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
SCHEMBL4834260 1.00 ALDH1A1 (0.41) ALDH1A1LMNAGAAKMT2AMAPT
SCHEMBL4825732 0.80 ALDH1A1 (0.41) ALDH1A1LMNAKDM4EPTGS2HCAR1
SCHEMBL4829313 0.76 LMNA (0.41) ALDH1A1LMNAGAAKMT2AMAPT
SCHEMBL4829309 0.76 LMNA (0.41) ALDH1A1LMNAGAAKMT2AMAPT
SCHEMBL4831419 0.72 MMP1 (0.41) ALDH1A1LMNAKMT2AMAPTMEN1
SCHEMBL27613043 0.71 MAOB (0.47) ALDH1A1LMNAKMT2AMAPTMEN1
SCHEMBL3476254 0.67 HSD11B1 (0.72) ALDH1A1LMNAGAAKMT2AMAPT
SCHEMBL81379 0.67 HSD11B1 (0.72) ALDH1A1LMNAGAAKMT2AMAPT
SCHEMBL81378 0.67 HSD11B1 (0.72) ALDH1A1LMNAGAAKMT2AMAPT
SCHEMBL21597614 0.66 NPC1 (0.41) ALDH1A1LMNAGAAKMT2AMAPT

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 6 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
CN-1731994-A Prophylactic and therapeutic agent for neuropathy TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2006-02-08 CN 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 ALDH1A1 2652/4885LMNA 2405/4885GAA 4645/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 ALDH1A1 2652/4885LMNA 2405/4885GAA 4645/4885

“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.