SCHEMBL4099156

SCHEMBL4099156

COC(=O)/C=C/c1nn(Cc2ccc(F)cc2Cl)c2cc(OC(F)(F)F)ccc12

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
TP53 P04637 6/20 0.41
ENPP2 Q13822 1/20 0.39
SLC16A3 O15427 1/20 0.39
SLC16A1 P53985 1/20 0.39
MCTS1 Q9ULC4 1/20 0.39
F2RL3 Q96RI0 4/20 0.38
POLB P06746 1/20 0.38
NR1I2 O75469 1/20 0.37
NR3C1 P04150 1/20 0.37
AR P10275 1/20 0.37
RXRA P19793 1/20 0.37
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
P2RX7 Q99572 2/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL1047919 1.00 MAPT (0.42) MAPTTP53ENPP2SLC16A3SLC16A1
SCHEMBL1048828 0.92 LMNA (0.41) TP53ENPP2SLC16A3SLC16A1MCTS1
SCHEMBL4092629 0.92 LMNA (0.41) TP53ENPP2SLC16A3SLC16A1MCTS1
SCHEMBL1049263 0.91 F2RL3 (0.43) ENPP2F2RL3CYP1A2CYP3A4CYP2D6
SCHEMBL4109351 0.91 F2RL3 (0.43) ENPP2F2RL3CYP1A2CYP3A4CYP2D6
SCHEMBL4101180 0.90 ENPP2 (0.42) MAPTTP53ENPP2SLC16A3SLC16A1
SCHEMBL1049936 0.90 ENPP2 (0.42) MAPTTP53ENPP2SLC16A3SLC16A1
SCHEMBL1050774 0.89 ENPP2 (0.39) MAPTTP53ENPP2SLC16A3SLC16A1
SCHEMBL1050776 0.89 ENPP2 (0.39) MAPTTP53ENPP2SLC16A3SLC16A1
SCHEMBL4112646 0.88 ENPP2 (0.41) ENPP2SLC16A3SLC16A1MCTS1F2RL3

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-20130123296-A1 LONIDAMINE ANALOGUES FOR FERTILITY MANAGEMENT THE UNIVERSITY OF KANSAS (US) 2013-05-16 US disclosed
US-8377958-B2 Lonidamine analogues for fertility management THE UNIVERSITY OF KANSAS (US) 2013-02-19 US disclosed
US-8362031-B2 Lonidamine analogues and treatment of polycystic kidney disease UNIVERSITY OF KANSAS (US) 2013-01-29 US disclosed
US-20110060003-A1 LONIDAMINE ANALOGUES FOR FERTILITY MANAGEMENT UNIVERSITY OF KANSAS 2011-03-10 US disclosed
US-20090197911-A1 LONIDAMINE ANALOGUES AND TREATMENT OF POLYCYSTIC KIDNEY DISEASE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-08-06 US 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 (3 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-20130123296-A1 LONIDAMINE ANALOGUES FOR FERTILITY MANAGEMENT SHBG, GNRHR, FSHR MAPT 4627/4885TP53 4573/4885ENPP2 1075/4885
US-20090197911-A1 LONIDAMINE ANALOGUES AND TREATMENT OF POLYCYSTIC KIDNEY DISEASE PKD1, PKD2, RAF1 MAPT 4829/4885TP53 343/4885ENPP2 3917/4885
US-20110060003-A1 LONIDAMINE ANALOGUES FOR FERTILITY MANAGEMENT SHBG, GNRHR, FSHR MAPT 4627/4885TP53 4573/4885ENPP2 1075/4885

“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.