SCHEMBL17351237

SCHEMBL17351237

Cc1cc(Br)c(Cl)cc1NC(=O)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
USP2 O75604 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.41
GLA P06280 1/20 0.41
PDK1 Q15118 8/20 0.40
PDK2 Q15119 8/20 0.40
PDK3 Q15120 8/20 0.40
PDK4 Q16654 8/20 0.40
CHUK O15111 1/20 0.38
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL18874272 0.94 MEN1 (0.41) MEN1KMT2AUSP2KDM4ECYP1A2
SCHEMBL17351245 0.88 CA1 (0.43) PDK1PDK2PDK3PDK4LMNA
SCHEMBL4568248 0.88 PDK1 (0.40) MEN1KMT2AUSP2KDM4ECYP1A2
SCHEMBL23952225 0.87 PDK1 (0.44) MEN1KMT2AUSP2KDM4ECYP1A2
SCHEMBL17351276 0.85 CA1 (0.50) PDK1PDK2PDK3PDK4LMNA
SCHEMBL20749911 0.83 MEN1 (0.38) MEN1KMT2ACYP1A2PDK1PDK2
SCHEMBL16050285 0.81 MEN1 (0.40) MEN1KMT2APDK1PDK2PDK3
SCHEMBL4568245 0.80 HDAC1 (0.41) MEN1KMT2AUSP2KDM4ECYP1A2
SCHEMBL28600793 0.80 CA1 (0.44) MEN1KMT2AKDM4ELMNASMN1; SMN2
SCHEMBL17351269 0.80 MEN1 (0.36) MEN1KMT2AKDM4ECYP1A2GLA

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970119-B1 NOVEL INDOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS MERCK SHARP & DOHME (US) 2021-11-03 EP disclosed
EP-3517524-B1 PARASITICIDAL COMPOSITIONS COMPRISING INDOLE DERIVATIVES, METHODS AND USES THEREOF BOEHRINGER INGELHEIM ANIMAL HEALTH USA INC (US) 2021-05-26 EP disclosed
EP-3517524-B1 PARASITICIDAL COMPOSITIONS COMPRISING INDOLE DERIVATIVES, METHODS AND USES THEREOF BOEHRINGER INGELHEIM ANIMAL HEALTH USA INC (US) 2021-05-26 EP disclosed
EP-3517524-A1 PARASITICIDAL COMPOSITIONS COMPRISING INDOLE DERIVATIVES, METHODS AND USES THEREOF Merial Inc. (US) 2019-07-31 EP disclosed
US-10251863-B2 Parasiticidal compositions comprising indole derivatives, methods and uses thereof MERIAL INC. (US) 2019-04-09 US disclosed
US-10251863-B2 Parasiticidal compositions comprising indole derivatives, methods and uses thereof MERIAL INC. (US) 2019-04-09 US disclosed
EP-3157912-B1 PARASITICIDAL COMPOSITIONS COMPRISING INDOLE DERIVATIVES, METHODS AND USES THEREOF MERIAL INC (US) 2019-02-20 EP disclosed
EP-3157912-B1 PARASITICIDAL COMPOSITIONS COMPRISING INDOLE DERIVATIVES, METHODS AND USES THEREOF MERIAL INC (US) 2019-02-20 EP disclosed
US-20170290803-A1 PARASITICIDAL COMPOSITIONS COMPRISING INDOLE DERIVATIVES, METHODS AND USES THEREOF MERIAL, INC. (US) 2017-10-12 US disclosed
US-20170290803-A1 PARASITICIDAL COMPOSITIONS COMPRISING INDOLE DERIVATIVES, METHODS AND USES THEREOF MERIAL, INC. (US) 2017-10-12 US disclosed
US-9776986-B2 Parasiticidal compositions comprising indole derivatives, methods and uses thereof MERIAL INC. (US) 2017-10-03 US disclosed
US-9776986-B2 Parasiticidal compositions comprising indole derivatives, methods and uses thereof MERIAL INC. (US) 2017-10-03 US disclosed
US-9776986-B2 Parasiticidal compositions comprising indole derivatives, methods and uses thereof MERIAL INC. (US) 2017-10-03 US disclosed
US-9650375-B2 Indole derivatives useful as anti-diabetic agents MERCK SHARP & DOHME CORP. (US) 2017-05-16 US disclosed
EP-3157912-A1 PARASITICIDAL COMPOSITIONS COMPRISING INDOLE DERIVATIVES, METHODS AND USES THEREOF Merial, Inc. (US) 2017-04-26 EP disclosed
US-20150366198-A1 PARASITICIDAL COMPOSITIONS COMPRISING INDOLE DERIVATIVES, METHODS AND USES THEREOF MERIAL, INC. (US) 2015-12-24 US disclosed
US-20150366198-A1 PARASITICIDAL COMPOSITIONS COMPRISING INDOLE DERIVATIVES, METHODS AND USES THEREOF MERIAL, INC. (US) 2015-12-24 US disclosed
US-20150366198-A1 PARASITICIDAL COMPOSITIONS COMPRISING INDOLE DERIVATIVES, METHODS AND USES THEREOF MERIAL, INC. (US) 2015-12-24 US disclosed
WO-2015196014-A1 PARASITICIDAL COMPOSITIONS COMPRISING INDOLE DERIVATIVES, METHODS AND USES THEREOF MERIAL, INC. (US) 2015-12-23 WO disclosed
WO-2015196014-A1 PARASITICIDAL COMPOSITIONS COMPRISING INDOLE DERIVATIVES, METHODS AND USES THEREOF MERIAL, INC. (US) 2015-12-23 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 (3 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-10251863-B2 Parasiticidal compositions comprising indole derivatives, methods and uses thereof IDO1, IDO2, MMP1 MEN1 2999/4885KMT2A 2805/4885USP2 2410/4885
US-20170290803-A1 PARASITICIDAL COMPOSITIONS COMPRISING INDOLE DERIVATIVES, METHODS AND USES THEREOF IDO1, IDO2, MMP1 MEN1 2999/4885KMT2A 2805/4885USP2 2410/4885
US-20150366198-A1 PARASITICIDAL COMPOSITIONS COMPRISING INDOLE DERIVATIVES, METHODS AND USES THEREOF IDO1, IDO2, MMP1 MEN1 2999/4885KMT2A 2805/4885USP2 2410/4885

“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.