SCHEMBL12697371

SCHEMBL12697371

O=C(NCc1ccc(F)cc1)c1ccc(C(=O)NCc2ccc(F)cc2)c(O)c1O

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.66
CYP1A2 P05177 1/20 0.66
CYP2C19 P33261 1/20 0.66
LMNA P02545 5/20 0.59
L3MBTL1 Q9Y468 2/20 0.58
LIPG Q9Y5X9 1/20 0.57
MAPT P10636 1/20 0.56
PLA2G1B P04054 1/20 0.53
ATG4B Q9Y4P1 1/20 0.53
HTT P42858 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
ALDH1A1 P00352 2/20 0.52
RAB9A P51151 2/20 0.52
KDM4E B2RXH2 1/20 0.52
NPC1 O15118 1/20 0.52
APEX1 P27695 1/20 0.51

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
SCHEMBL12697314 0.93 KMT2A (0.59) KMT2ACYP1A2CYP2C19LMNAL3MBTL1
SCHEMBL12697363 0.89 KMT2A (0.71) KMT2ACYP1A2CYP2C19LMNAL3MBTL1
SCHEMBL4229242 0.89 KMT2A (0.66) KMT2ACYP1A2CYP2C19LMNAL3MBTL1
SCHEMBL15726046 0.87 KMT2A (0.56) KMT2ACYP1A2CYP2C19LMNAL3MBTL1
SCHEMBL12697426 0.87 KMT2A (0.52) KMT2ACYP1A2CYP2C19LMNAL3MBTL1
SCHEMBL2735040 0.85 KMT2A (0.87) KMT2ACYP1A2CYP2C19LMNAL3MBTL1
SCHEMBL12697312 0.84 KMT2A (0.64) KMT2ACYP1A2CYP2C19LMNAL3MBTL1
SCHEMBL6722874 0.84 KMT2A (0.78) KMT2ACYP1A2CYP2C19LMNAL3MBTL1
SCHEMBL15726045 0.83 HSP90AA1 (0.55) KMT2ACYP1A2CYP2C19LMNAL3MBTL1
SCHEMBL15726043 0.83 KMT2A (0.52) KMT2ACYP1A2CYP2C19LMNAL3MBTL1

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 7 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

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.