SCHEMBL15058554

SCHEMBL15058554

O=C(OCc1ccccc1)c1cc2c(C(F)(F)F)cc(-c3ccc(Cl)cc3Cl)cc2n1O

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LDHA P00338 4/20 0.53
DHODH Q02127 2/20 0.38
ORAI1 Q96D31 1/20 0.37
GRM5 P41594 1/20 0.37
MARS1 P56192 1/20 0.37
CNR1 P21554 3/20 0.36
CCR2 P41597 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
GCGR P47871 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL16240323 0.95 LDHA (0.56) LDHADHODHORAI1MARS1CNR1
SCHEMBL15060081 0.94 LDHA (0.48) LDHADHODHMARS1CNR1CCR2
SCHEMBL16241235 0.92 LDHA (0.46) LDHAMARS1CNR1CCR2PTGDR2
SCHEMBL15059992 0.92 LDHA (0.46) LDHACNR1CCR2
SCHEMBL15059022 0.89 LDHA (0.48) LDHADHODHMARS1CNR1CCR2
SCHEMBL16240014 0.88 LDHA (0.42) LDHARAB9A
SCHEMBL16240315 0.87 LDHA (0.52) LDHANPC1RAB9A
SCHEMBL15058967 0.85 LDHA (0.72) LDHANPC1RAB9A
SCHEMBL16240393 0.83 LDHA (0.66) LDHAMRGPRX4
SCHEMBL16240175 0.83 LDHA (0.48) LDHACNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140343001-A1 INDOLE DERIVATIVES INHIBITORS OF ENZYME LACTATE DEHYDROGENASE (LDH) UNIVERSITA DI PISA (IT) 2014-11-20 US claimed
US-20140343001-A1 INDOLE DERIVATIVES INHIBITORS OF ENZYME LACTATE DEHYDROGENASE (LDH) UNIVERSITA DI PISA (IT) 2014-11-20 US disclosed
WO-2013092753-A1 INDOLE DERIVATIVES INHIBITORS OF ENZYME LACTATE DEHYDROGENASE (LDH) UNIVERSITÀ DI PISA (IT) 2013-06-27 WO 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 (1 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-20140343001-A1 INDOLE DERIVATIVES INHIBITORS OF ENZYME LACTATE DEHYDROGENASE (LDH) LDHA, LDHB, IDO1 LDHA 1/4885DHODH 22/4885ORAI1 868/4885

“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.