SCHEMBL4836129

SCHEMBL4836129

CCc1nc(Cc2ccc(N)cc2)no1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
KMT2A Q03164 1/20 0.45
TSHR P16473 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 1/20 0.42
HTR1A P08908 1/20 0.39
HTR2C P28335 1/20 0.39
NPC1 O15118 1/20 0.39
USP2 O75604 1/20 0.39
RAB9A P51151 1/20 0.39
MAPK10 P53779 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL13666710 0.87 TDP1 (0.44) MAPTKMT2ATSHRTDP1MAPK1
SCHEMBL24264721 0.83 KMT2A (0.48) MAPTKMT2ATSHRTDP1MAPK1
SCHEMBL92379 0.83 MAPK1 (0.57) MAPTKMT2ATSHRTDP1MAPK1
SCHEMBL4834082 0.79 TDP1 (0.45) MAPTTSHRTDP1MAPK1ALDH1A1
SCHEMBL4825750 0.77 POLB (0.46) MAPTKMT2ATSHRTDP1MAPK1
SCHEMBL5311162 0.72 ACACB (0.59) MAPTTSHRTDP1ALDH1A1CYP3A4
SCHEMBL21824553 0.72 HDAC4 (0.41) TSHRTDP1ALDH1A1CYP3A4
SCHEMBL27001794 0.72 MAPK1 (0.71) MAPTKMT2ATDP1MAPK1ALDH1A1
SCHEMBL17508779 0.72
SCHEMBL12705 0.71

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-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

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 MAPT 3203/4885KMT2A 1653/4885TSHR 1173/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 MAPT 3203/4885KMT2A 1653/4885TSHR 1173/4885

“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.