SCHEMBL1049709

SCHEMBL1049709

O=C(O)/C=C/c1nn(Cc2ccc(F)cc2Cl)c2ccc(C(F)(F)F)cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.40
NR1H3 Q13133 2/20 0.40
NR1I2 O75469 1/20 0.40
NR3C1 P04150 1/20 0.40
AR P10275 1/20 0.40
RXRA P19793 1/20 0.40
RORC P51449 1/20 0.40
TP53 P04637 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
PMP22 Q01453 1/20 0.39
HIF1A Q16665 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
P2RX7 Q99572 2/20 0.38

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
SCHEMBL1049710 1.00 NR1H2 (0.40) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL12693789 0.92 ENPP2 (0.44) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1049045 0.91 NPSR1 (0.49) CYP1A2CYP3A4CYP2D6CYP2C9TSHR
SCHEMBL1049044 0.91 NPSR1 (0.49) CYP1A2CYP3A4CYP2D6CYP2C9TSHR
SCHEMBL1050810 0.90 KCNK3 (0.41) CYP1A2CYP3A4CYP2D6CYP2C9PTGDR2
SCHEMBL1050812 0.90 KCNK3 (0.41) CYP1A2CYP3A4CYP2D6CYP2C9PTGDR2
SCHEMBL1047269 0.89 PPARG (0.41) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1047271 0.89 PPARG (0.41) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1048680 0.89 PPARG (0.41) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1048679 0.89 PPARG (0.41) NR1H2NR1H3NR1I2NR3C1AR

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-20060047126-A1 Lonidamine analogues and their use in male contraception and cancer treatment NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-03-02 US claimed
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
EP-2451783-A2 LONIDAMINE ANALOGUES FOR FERTILITY MANAGEMENT University Of Kansas (US) 2012-05-16 EP disclosed
US-20110060003-A1 LONIDAMINE ANALOGUES FOR FERTILITY MANAGEMENT UNIVERSITY OF KANSAS 2011-03-10 US disclosed
WO-2011005759-A2 LONIDAMINE ANALOGUES FOR FERTILITY MANAGEMENT UNIVERSITY OF KANSAS (US) 2011-01-13 WO 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 (4 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-20060047126-A1 Lonidamine analogues and their use in male contraception and cancer treatment TRAP1, HSPE1, HSF1 NR1H2 2448/4885NR1H3 2769/4885NR1I2 1379/4885
US-20130123296-A1 LONIDAMINE ANALOGUES FOR FERTILITY MANAGEMENT SHBG, GNRHR, FSHR NR1H2 746/4885NR1H3 1112/4885NR1I2 767/4885
US-20090197911-A1 LONIDAMINE ANALOGUES AND TREATMENT OF POLYCYSTIC KIDNEY DISEASE PKD1, PKD2, RAF1 NR1H2 2464/4885NR1H3 2927/4885NR1I2 2270/4885
US-20110060003-A1 LONIDAMINE ANALOGUES FOR FERTILITY MANAGEMENT SHBG, GNRHR, FSHR NR1H2 746/4885NR1H3 1112/4885NR1I2 767/4885

“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.