SCHEMBL12472363

SCHEMBL12472363

O=C(NCc1ccc(F)cc1)c1ccccc1O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.72
CYP1A2 P05177 1/20 0.72
CYP2C19 P33261 1/20 0.72
LMNA P02545 3/20 0.65
MAPT P10636 3/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
RAB9A P51151 3/20 0.59
APEX1 P27695 1/20 0.58
KDM4E B2RXH2 2/20 0.55
CA1 P00915 1/20 0.55
CA9 Q16790 1/20 0.55
HTT P42858 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
NPC1 O15118 2/20 0.54
ALDH1A1 P00352 2/20 0.54
MT-CO2 P00403 1/20 0.54
MEN1 O00255 1/20 0.54
HPGD P15428 1/20 0.54
ALOX12 P18054 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54

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
SCHEMBL2735040 0.90 KMT2A (0.87) KMT2ACYP1A2CYP2C19LMNAMAPT
SCHEMBL4229242 0.89 KMT2A (0.66) KMT2ACYP1A2CYP2C19LMNAMAPT
SCHEMBL12697363 0.87 KMT2A (0.71) KMT2ACYP1A2CYP2C19LMNAMAPT
SCHEMBL1979028 0.86 KMT2A (0.71) KMT2ACYP1A2CYP2C19LMNAMAPT
SCHEMBL15686617 0.85 KMT2A (0.74) KMT2ACYP1A2CYP2C19LMNAMAPT
SCHEMBL6357013 0.84 KMT2A (1.00) KMT2ACYP1A2CYP2C19LMNAMAPT
SCHEMBL8404892 0.83 NPC1 (0.62) KMT2ACYP1A2CYP2C19RAB9AAPEX1
SCHEMBL12697371 0.83 KMT2A (0.66) KMT2ACYP1A2CYP2C19LMNAMAPT
SCHEMBL24083684 0.83 KMT2A (0.75) KMT2ACYP1A2CYP2C19LMNAMAPT
SCHEMBL15686618 0.83 KMT2A (0.70) KMT2ACYP1A2CYP2C19LMNAMAPT

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 8 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-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
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
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 KMT2A 1460/4885CYP1A2 2267/4885CYP2C19 2058/4885
US-20150218120-A1 HIV INTEGRASE INHIBITORS IMPDH1, TYMP, IMPA1 KMT2A 1460/4885CYP1A2 2267/4885CYP2C19 2058/4885

“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.