SCHEMBL998543

SCHEMBL998543

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

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.75
CYP3A4 P08684 2/20 0.75
CYP2C9 P11712 2/20 0.75
CYP2D6 P10635 1/20 0.75
TSHR P16473 1/20 0.75
PMP22 Q01453 1/20 0.75
HIF1A Q16665 1/20 0.75
NPSR1 Q6W5P4 1/20 0.75
LMNA P02545 6/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
GAA P10253 2/20 0.51
MAPT P10636 2/20 0.51
BUB1 O43683 3/20 0.47
ELANE P08246 2/20 0.47
SLC9A1 P19634 1/20 0.47
F2 P00734 1/20 0.47
PLAU P00749 1/20 0.47
ALDH1A1 P00352 3/20 0.46
CYP2C19 P33261 1/20 0.46
PTGER4 P35408 2/20 0.46

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
SCHEMBL29459648 1.00 CYP1A2 (0.75) CYP1A2CYP3A4CYP2C9CYP2D6TSHR
SCHEMBL1047555 0.91 CYP1A2 (0.61) CYP1A2CYP3A4CYP2C9CYP2D6TSHR
SCHEMBL1049342 0.91 CYP1A2 (0.61) CYP1A2CYP3A4CYP2C9CYP2D6TSHR
SCHEMBL30491087 0.89 CYP1A2 (0.72) CYP1A2CYP3A4CYP2C9CYP2D6TSHR
SCHEMBL3408437 0.89 CYP1A2 (0.72) CYP1A2CYP3A4CYP2C9CYP2D6TSHR
SCHEMBL997496 0.89 CYP1A2 (0.59) CYP1A2CYP3A4CYP2C9CYP2D6TSHR
SCHEMBL998778 0.89 CYP1A2 (0.59) CYP1A2CYP3A4CYP2C9CYP2D6TSHR
SCHEMBL12787802 0.87 CYP1A2 (0.69) CYP1A2CYP3A4CYP2C9CYP2D6TSHR
SCHEMBL1044775 0.87 CYP1A2 (0.56) CYP1A2CYP3A4CYP2C9CYP2D6TSHR
SCHEMBL12787975 0.87 CYP1A2 (0.56) 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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1786424-A2 LONIDAMINE ANALOGUES AND THEIR USE IN MALE CONTRACEPTION AND CANCER TREATMENT The University of Kansas (US) 2007-05-23 EP claimed
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
WO-2006023704-A2 LONIDAMINE ANALOGUES AND THEIR USE IN MALE CONTRACEPTION AND CANCER TREATMENT UNIVERSITY OF KANSAS (US) 2006-03-02 WO claimed
WO-2022061008-A2 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X4 AND RELATED PRODUCTS AND METHODS ESCIENT PHARMACEUTICALS, INC. (US) 2022-03-24 WO disclosed
CN-104011027-A Use of lonidamine analogs for fertility regulation UNIV KANSAS 2014-08-27 CN disclosed
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-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-8377958-B2 Lonidamine analogues for fertility management THE UNIVERSITY OF KANSAS (US) 2013-02-19 US disclosed
US-8377958-B2 Lonidamine analogues for fertility management THE UNIVERSITY OF KANSAS (US) 2013-02-19 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
EP-1786424-A2 LONIDAMINE ANALOGUES AND THEIR USE IN MALE CONTRACEPTION AND CANCER TREATMENT The University of Kansas (US) 2007-05-23 EP disclosed
US-20070043057-A1 Lonidamine analogs THRESHOLD PHARMACEUTICALS, INC. (US) 2007-02-22 US disclosed
US-20070043057-A1 Lonidamine analogs THRESHOLD PHARMACEUTICALS, INC. (US) 2007-02-22 US disclosed
US-20070015771-A1 Lonidamine analogs THRESHOLD PHARMACEUTICALS, INC. (US) 2007-01-18 US disclosed
US-20070015771-A1 Lonidamine analogs THRESHOLD PHARMACEUTICALS, INC. (US) 2007-01-18 US disclosed
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 disclosed
WO-2006023704-A2 LONIDAMINE ANALOGUES AND THEIR USE IN MALE CONTRACEPTION AND CANCER TREATMENT UNIVERSITY OF KANSAS (US) 2006-03-02 WO disclosed
US-6001865-A 3-SUBSTITUTED 1-BENZYL-1H-INDAZOLE DERIVATIVES ANTIFERTILITY AGENT USED TO REDUCE THE POPULATION OF MICE, RATS AND PIGEIONS ANGELINI PHARMACEUTICALS INC. (US) 1999-12-14 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 CYP1A2 3302/4885CYP3A4 4010/4885CYP2C9 3890/4885
US-20130123296-A1 LONIDAMINE ANALOGUES FOR FERTILITY MANAGEMENT SHBG, GNRHR, FSHR CYP1A2 348/4885CYP3A4 1218/4885CYP2C9 784/4885
US-20070015771-A1 Lonidamine analogs LONP1, LPXN, QDPR CYP1A2 4551/4885CYP3A4 4009/4885CYP2C9 4684/4885
US-20070043057-A1 Lonidamine analogs LONP1, LPXN, QDPR CYP1A2 4551/4885CYP3A4 4009/4885CYP2C9 4684/4885

“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.