SCHEMBL4829111

SCHEMBL4829111

Cc1nc(Cc2ccc(N)cc2)cs1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
CYP3A4 P08684 2/20 0.45
ALDH1A1 P00352 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.42
LTA4H P09960 2/20 0.41
PKM P14618 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SLC6A3 Q01959 2/20 0.40
RECQL P46063 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 2/20 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
NPC1 O15118 1/20 0.38
USP2 O75604 1/20 0.38
RAB9A P51151 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
SCHEMBL12206192 0.85 MEN1 (0.50) ALDH1A1TDP1L3MBTL1LTA4HPKM
SCHEMBL16020929 0.82 KMT2A (0.52) ALDH1A1PKMMEN1KMT2ASLC6A3
SCHEMBL13148615 0.82 KMT2A (0.59) PKMMEN1KMT2ASLC6A3GAA
SCHEMBL10284918 0.82 SMN1; SMN2 (0.55) ALDH1A1PKMMEN1KMT2ASLC6A3
SCHEMBL5149718 0.81 NOS1 (0.51) TSHRCYP3A4ALDH1A1TDP1L3MBTL1
SCHEMBL2263697 0.81 SLC6A3 (0.53) ALDH1A1PKMMEN1KMT2ASLC6A3
SCHEMBL10284908 0.79 LMNA (0.55) CYP3A4ALDH1A1TDP1L3MBTL1LTA4H
SCHEMBL13611430 0.79 CYP17A1 (0.46) CYP3A4LTA4HPKMMEN1KMT2A
SCHEMBL4829173 0.79 HDAC1 (0.44) TSHRCYP3A4ALDH1A1TDP1L3MBTL1
SCHEMBL10284720 0.78 LTA4H (0.49) ALDH1A1LTA4HPKMMEN1KMT2A

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
CN-100334083-C Piperidine derivatives as CCR5 inhibitors NOVARTIS AG (CH) 2007-08-29 CN disclosed
US-20060004069-A1 Agent for preventing or treating neuropathy TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-05 US disclosed
CN-1703411-A Piperidine derivatives as CCR5 inhibitors NOVARTIS AG (CH) 2005-11-30 CN 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 TSHR 1173/4885CYP3A4 2152/4885ALDH1A1 2652/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 TSHR 1173/4885CYP3A4 2152/4885ALDH1A1 2652/4885

“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.