SCHEMBL4834082

SCHEMBL4834082

Cc1nc(Cc2ccc(N)cc2)no1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.45
CYP3A4 P08684 3/20 0.45
TSHR P16473 2/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPK1 P28482 4/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 2/20 0.42
USP2 O75604 1/20 0.41
MAPK10 P53779 1/20 0.41
ACHE P22303 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
CYP17A1 P05093 1/20 0.38
CYP19A1 P11511 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL24098510 0.86 MAPK1 (0.43) TDP1TSHRALDH1A1MAPK1L3MBTL1
SCHEMBL12075597 0.82 MAPK1 (0.46) TDP1TSHRALDH1A1MAPK1L3MBTL1
SCHEMBL10197292 0.82 L3MBTL1 (0.46) TDP1TSHRALDH1A1MAPK1L3MBTL1
SCHEMBL2656622 0.81 MAPK1 (0.61) TDP1TSHRALDH1A1MAPK1L3MBTL1
SCHEMBL1822673 0.80 L3MBTL1 (0.42) TDP1TSHRALDH1A1MAPK1L3MBTL1
SCHEMBL4836129 0.79 MAPT (0.45) TDP1CYP3A4TSHRALDH1A1MAPK1
SCHEMBL27001794 0.78 MAPK1 (0.71) TDP1ALDH1A1MAPK1L3MBTL1NPC1
SCHEMBL1066837 0.77 HDAC6 (0.49) TDP1TSHRALDH1A1MAPK1L3MBTL1
SCHEMBL12284250 0.76 L3MBTL1 (0.35) TDP1CYP3A4MAPK1L3MBTL1NPC1
SCHEMBL4836595 0.76 POLB (0.49) TSHRALDH1A1NPC1RAB9ASMN1; SMN2

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 TDP1 3636/4885CYP3A4 2152/4885TSHR 1173/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 TDP1 3636/4885CYP3A4 2152/4885TSHR 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.