SCHEMBL9846100

SCHEMBL9846100

ClCc1nc2cccc(Cl)c2o1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 1/20 0.53
PSMB5 P28074 1/20 0.53
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MTNR1A P48039 9/20 0.36
MTNR1B P49286 9/20 0.36
AHR P35869 3/20 0.36
C1R P00736 2/20 0.36
KMT2A Q03164 1/20 0.35
ELANE P08246 1/20 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
SCHEMBL3613930 0.84 ELANE (0.51) PSMB8PSMB5MAPTNPC1RAB9A
SCHEMBL7899508 0.81 LOXL2 (0.56) PSMB8PSMB5MAPTALDH1A1NPC1
SCHEMBL9846370 0.80 ELANE (0.43) MAPTKDM4EALDH1A1MTNR1AMTNR1B
SCHEMBL21685060 0.80 MAPT (0.40) PSMB8PSMB5MAPTKDM4EALDH1A1
SCHEMBL9846250 0.80 PIK3CD (0.43) MAPTKDM4EALDH1A1NPC1RAB9A
SCHEMBL20964583 0.80 ELANE (0.55) PSMB8PSMB5MAPTALDH1A1MTNR1A
SCHEMBL102232 0.78 PSMB8 (0.50) PSMB8PSMB5MAPTNPC1RAB9A
SCHEMBL5535332 0.77 PSMB8 (0.56) PSMB8PSMB5MAPTKDM4EALDH1A1
SCHEMBL3954800 0.76 PSMB8 (0.59) PSMB8PSMB5ALDH1A1NPC1RAB9A
SCHEMBL23932555 0.76 ALDH1A1 (0.40) MAPTKDM4EALDH1A1NPC1RAB9A

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-7807684-B2 HIV reverse transcriptase inhibitors MERCK SHARP & DOHME CORP. (US) 2010-10-05 US disclosed
US-7807684-B2 HIV reverse transcriptase inhibitors MERCK SHARP & DOHME CORP. (US) 2010-10-05 US disclosed
WO-2007015809-A2 HIV REVERSE TRANSCRIPTASE INHIBITORS MERCK & CO., INC. (US) 2007-02-08 WO disclosed
US-20070021442-A1 HIV reverse transcriptase inhibitors MERCK SHARP & DOHME CORP. 2007-01-25 US disclosed
US-20070021442-A1 HIV reverse transcriptase inhibitors MERCK SHARP & DOHME CORP. 2007-01-25 US disclosed
EP-0462800-A2 Inhibitors of HIV reverse transcriptase MERCK & CO. INC. (US) 1991-12-27 EP 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 (1 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-20070021442-A1 HIV reverse transcriptase inhibitors POLRMT, RNGTT, POLR2E PSMB8 1039/4885PSMB5 2041/4885MAPT 620/4885

“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.