SCHEMBL4098858

SCHEMBL4098858

O=C(O)c1ccc2c(C(=O)O)nn(Cc3ccc(F)cc3Cl)c2c1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
TSHR P16473 1/20 0.58
PMP22 Q01453 1/20 0.58
HIF1A Q16665 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
SLC22A12 Q96S37 6/20 0.52
RORC P51449 2/20 0.46
TP53 P04637 2/20 0.46
ENPP2 Q13822 1/20 0.45
PTGER4 P35408 2/20 0.45
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 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
SCHEMBL4097571 0.93 CYP1A2 (0.63) CYP1A2CYP3A4CYP2D6CYP2C9TSHR
SCHEMBL1050886 0.90 CYP1A2 (0.69) CYP1A2CYP3A4CYP2D6CYP2C9TSHR
SCHEMBL1051009 0.90 SLC22A12 (0.49) CYP1A2CYP3A4CYP2D6CYP2C9TSHR
SCHEMBL1050981 0.88 CYP1A2 (0.74) CYP1A2CYP3A4CYP2D6CYP2C9TSHR
SCHEMBL1049625 0.88 RORC (0.47) CYP1A2CYP3A4CYP2D6CYP2C9TSHR
SCHEMBL1051599 0.88 CYP1A2 (0.57) CYP1A2CYP3A4CYP2D6CYP2C9TSHR
SCHEMBL4100072 0.87 CYP1A2 (0.73) CYP1A2CYP3A4CYP2D6CYP2C9TSHR
SCHEMBL998288 0.87 CYP1A2 (0.56) CYP1A2CYP3A4CYP2D6CYP2C9TSHR
SCHEMBL1050871 0.87 CYP1A2 (0.56) CYP1A2CYP3A4CYP2D6CYP2C9TSHR
SCHEMBL14595172 0.86 CYP1A2 (0.78) CYP1A2CYP3A4CYP2D6CYP2C9TSHR

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 6 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
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 (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 4010/4885CYP2D6 3946/4885
US-20130123296-A1 LONIDAMINE ANALOGUES FOR FERTILITY MANAGEMENT SHBG, GNRHR, FSHR CYP1A2 348/4885CYP3A4 1218/4885CYP2D6 580/4885
US-20090197911-A1 LONIDAMINE ANALOGUES AND TREATMENT OF POLYCYSTIC KIDNEY DISEASE PKD1, PKD2, RAF1 CYP1A2 4345/4885CYP3A4 3630/4885CYP2D6 3639/4885
US-20110060003-A1 LONIDAMINE ANALOGUES FOR FERTILITY MANAGEMENT SHBG, GNRHR, FSHR CYP1A2 348/4885CYP3A4 1218/4885CYP2D6 580/4885

“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.