SCHEMBL16240283

SCHEMBL16240283

COC(=O)c1cc2c(C(F)(F)F)cc(-c3ccc(Cl)cc3)cc2n1O

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LDHA P00338 4/20 0.79
▸ NOTUM Q6P988 2/20 0.41
▸ MAPT P10636 6/20 0.38
▸ RAB9A P51151 3/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ MRGPRX4 Q96LA9 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ NFKB2 Q00653 1/20 0.36
▸ RELA Q04206 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ CASP3 P42574 1/20 0.35
▸ SENP8 Q96LD8 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
SCHEMBL16240538 0.91 LDHA (0.74) LDHANOTUMMAPTHTTMRGPRX4
SCHEMBL16240258 0.89 LDHA (0.72) LDHANOTUMMAPTSLC6A4SLC6A3
SCHEMBL15070120 0.88 LDHA (1.00) LDHANOTUMCYP1A2CYP2C19SMN1; SMN2
SCHEMBL16241236 0.87 LDHA (0.77) LDHAMRGPRX4
SCHEMBL16240393 0.87 LDHA (0.66) LDHANOTUMCYP1A2CYP2C19HTT
SCHEMBL16240031 0.87 LDHA (0.66) LDHANOTUMMAPTRAB9ACYP1A2
SCHEMBL8149 0.85 LDHA (0.79) LDHANOTUMMAPTRAB9ACYP1A2
SCHEMBL16240536 0.81 LDHA (0.68) LDHANOTUMMAPTCYP1A2CYP2C19
SCHEMBL16240287 0.80 LDHA (0.76) LDHA
SCHEMBL16240313 0.77 LDHA (0.48) LDHANOTUMMAPTRAB9AHTT

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 2 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

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 1/4885NOTUM 2229/4885MAPT 691/4885

“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.

Send feedback