SCHEMBL12697382

SCHEMBL12697382

O=C(NCc1ccc(F)cc1)c1ccc2cccnc2c1O

nearest known ligand 0.79

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 14/20 0.79
KMT2A Q03164 1/20 0.60
ALDH1A1 P00352 1/20 0.55
RPS6KB1 P23443 1/20 0.53

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
SCHEMBL2200760 0.88 EGLN1 (1.00) EGLN1ALDH1A1
SCHEMBL7957180 0.88 EGLN1 (0.80) EGLN1KMT2AALDH1A1
SCHEMBL2201947 0.88 EGLN1 (0.79) EGLN1ALDH1A1
SCHEMBL2206131 0.88 EGLN1 (1.00) EGLN1ALDH1A1
SCHEMBL2204239 0.87 EGLN1 (0.83) EGLN1ALDH1A1
SCHEMBL2205303 0.87 EGLN1 (0.74) EGLN1ALDH1A1
SCHEMBL7957338 0.87 EGLN1 (0.73) EGLN1ALDH1A1
SCHEMBL2353779 0.87 EGLN1 (0.60) EGLN1KMT2ARPS6KB1
SCHEMBL2201315 0.84 EGLN1 (1.00) EGLN1KMT2AALDH1A1
SCHEMBL2203014 0.84 EGLN1 (0.74) EGLN1ALDH1A1

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-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-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
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 2462/4885KMT2A 1460/4885ALDH1A1 1197/4885
US-20150218120-A1 HIV INTEGRASE INHIBITORS IMPDH1, TYMP, IMPA1 EGLN1 2462/4885KMT2A 1460/4885ALDH1A1 1197/4885

“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.