SCHEMBL12697381

SCHEMBL12697381

CCCCOc1c(C(=O)NCc2ccc(F)cc2)ccc2cccnc12

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 6/20 0.59
CNR2 P34972 2/20 0.53
KMT2A Q03164 1/20 0.51
FAAH O00519 1/20 0.48
CNR1 P21554 1/20 0.46
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 1/20 0.46
LMNA P02545 1/20 0.45
RPS6KB1 P23443 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL12697368 0.84 FAAH (0.61) CNR2KMT2AFAAHHPGDSMN1; SMN2
SCHEMBL12472334 0.84 EGLN1 (0.64) EGLN1KMT2ALMNAMAPT
SCHEMBL12697416 0.82 CNR2 (0.56) CNR2KMT2AFAAHHPGDLMNA
SCHEMBL12697382 0.81 EGLN1 (0.79) EGLN1KMT2ARPS6KB1
SCHEMBL12697309 0.81 FAAH (0.57) CNR2KMT2AFAAHHPGDSMN1; SMN2
SCHEMBL16977703 0.78 LIPG (0.55) CNR2KMT2AFAAHHPGDSMN1; SMN2
SCHEMBL2353779 0.78 EGLN1 (0.60) EGLN1KMT2ACNR1SMN1; SMN2HTT
SCHEMBL12697379 0.78 CNR2 (0.65) CNR2KMT2AFAAHCNR1HPGD
SCHEMBL12697380 0.78 ALDH1A1 (0.55) EGLN1CNR2KMT2AHPGDSMN1; SMN2
SCHEMBL2201315 0.74 EGLN1 (1.00) EGLN1KMT2AHPGDSMN1; SMN2LMNA

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-20150218120-A1 HIV INTEGRASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-08-06 US disclosed
US-20140142137-A1 HIV INTEGRASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (US) 2014-05-22 US disclosed
WO-2012106534-A2 HIV INTEGRASE INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-08-09 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-20140142137-A1 HIV INTEGRASE INHIBITORS IMPDH1, TYMP, IMPA1 EGLN1 2462/4885CNR2 4787/4885KMT2A 1460/4885
US-20150218120-A1 HIV INTEGRASE INHIBITORS IMPDH1, TYMP, IMPA1 EGLN1 2462/4885CNR2 4787/4885KMT2A 1460/4885

“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.