SCHEMBL12787804

SCHEMBL12787804

CNNC(=O)c1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.72
CYP3A4 P08684 2/20 0.72
CYP2C9 P11712 2/20 0.72
CYP2D6 P10635 1/20 0.72
TSHR P16473 1/20 0.72
PMP22 Q01453 1/20 0.72
HIF1A Q16665 1/20 0.72
NPSR1 Q6W5P4 1/20 0.72
PTGER4 P35408 3/20 0.49
LMNA P02545 5/20 0.47
CYP2C19 P33261 1/20 0.47
SLC9A1 P19634 1/20 0.46
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TP53 P04637 2/20 0.44
TASP1 Q9H6P5 1/20 0.44
JAK2 O60674 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
MAPT P10636 2/20 0.43

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
SCHEMBL24486720 0.91 CYP1A2 (0.75) CYP1A2CYP3A4CYP2C9CYP2D6TSHR
SCHEMBL14706702 0.89 CYP1A2 (0.56) CYP1A2CYP3A4CYP2C9CYP2D6TSHR
SCHEMBL29382834 0.88 CYP1A2 (0.77) CYP1A2CYP3A4CYP2C9CYP2D6TSHR
SCHEMBL996941 0.88 CYP1A2 (0.77) CYP1A2CYP3A4CYP2C9CYP2D6TSHR
SCHEMBL14595147 0.87 CYP1A2 (0.72) CYP1A2CYP3A4CYP2C9CYP2D6TSHR
SCHEMBL23055435 0.87 CYP1A2 (0.75) CYP1A2CYP3A4CYP2C9CYP2D6TSHR
SCHEMBL14584002 0.86 CYP1A2 (0.71) CYP1A2CYP3A4CYP2C9CYP2D6TSHR
SCHEMBL23055696 0.86 CYP1A2 (0.71) CYP1A2CYP3A4CYP2C9CYP2D6TSHR
SCHEMBL14584127 0.85 CYP1A2 (0.69) CYP1A2CYP3A4CYP2C9CYP2D6TSHR
SCHEMBL998543 0.84 CYP1A2 (0.75) CYP1A2CYP3A4CYP2C9CYP2D6TSHR

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-20130123296-A1 LONIDAMINE ANALOGUES FOR FERTILITY MANAGEMENT THE UNIVERSITY OF KANSAS (US) 2013-05-16 US disclosed
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-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
US-7514463-B2 Lonidamine analogues and their use in male contraception and cancer treatment UNIVERSITY OF KANSAS (US) 2009-04-07 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 CYP1A2 348/4885CYP3A4 1218/4885CYP2C9 784/4885
US-20090197911-A1 LONIDAMINE ANALOGUES AND TREATMENT OF POLYCYSTIC KIDNEY DISEASE PKD1, PKD2, RAF1 CYP1A2 4345/4885CYP3A4 3630/4885CYP2C9 3125/4885
US-20110060003-A1 LONIDAMINE ANALOGUES FOR FERTILITY MANAGEMENT SHBG, GNRHR, FSHR CYP1A2 348/4885CYP3A4 1218/4885CYP2C9 784/4885

“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.