SCHEMBL998078

SCHEMBL998078

CCOC(=O)CCc1nn(Cc2ccc(Cl)cc2F)c2cc(C(F)(F)F)ccc12

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
SLC22A12 Q96S37 4/20 0.39
AKR1B1 P15121 2/20 0.38
LMNA P02545 2/20 0.38
CCR2 P41597 1/20 0.38
KLKB1 P03952 1/20 0.37
KMO O15229 1/20 0.37
PTGER4 P35408 1/20 0.37
VNN1 O95497 1/20 0.36
PTGER1 P34995 1/20 0.36
PKM P14618 1/20 0.36
PKLR P30613 1/20 0.36
PTGDR2 Q9Y5Y4 2/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36
RAB9A P51151 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
SCHEMBL1051605 0.93 AKR1B1 (0.44) NR1H2NR1H3AKR1B1LMNACCR2
SCHEMBL1049461 0.92 NPSR1 (0.41) SLC22A12AKR1B1LMNACCR2NPC1
SCHEMBL1050233 0.91 ALDH1A1 (0.41) SLC22A12AKR1B1LMNAPTGER4PTGER1
SCHEMBL1048221 0.89 LMNA (0.40) NR1H2NR1H3SLC22A12AKR1B1LMNA
SCHEMBL996714 0.88 PPARG (0.40) NR1H2NR1H3SLC22A12LMNAPTGDR2
SCHEMBL1051660 0.87 AKR1B1 (0.45) NR1H2NR1H3SLC22A12AKR1B1KMO
SCHEMBL1050004 0.85 AKR1B1 (0.44) AKR1B1LMNACCR2PTGDR2NPC1
SCHEMBL5319300 0.84 AKR1B1 (0.45) NR1H2NR1H3SLC22A12AKR1B1KMO
SCHEMBL1049602 0.84 ALDH1A1 (0.41) AKR1B1LMNACCR2PTGER4PTGER1
SCHEMBL5267313 0.83 NR1H2 (0.44) NR1H2NR1H3SLC22A12AKR1B1CCR2

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2502624-A1 Lonidamine analogues and their use in male contraception and cancer treatment THE UNIVERSITY OF KANSAS (US) 2012-09-26 EP claimed
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
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 2769/4885SLC22A12 3712/4885
US-20130123296-A1 LONIDAMINE ANALOGUES FOR FERTILITY MANAGEMENT SHBG, GNRHR, FSHR NR1H2 746/4885NR1H3 1112/4885SLC22A12 1351/4885
US-20090197911-A1 LONIDAMINE ANALOGUES AND TREATMENT OF POLYCYSTIC KIDNEY DISEASE PKD1, PKD2, RAF1 NR1H2 2464/4885NR1H3 2927/4885SLC22A12 1256/4885
US-20110060003-A1 LONIDAMINE ANALOGUES FOR FERTILITY MANAGEMENT SHBG, GNRHR, FSHR NR1H2 746/4885NR1H3 1112/4885SLC22A12 1351/4885

“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.