SCHEMBL13784459

SCHEMBL13784459

Cc1c(C(F)(F)F)nn(-c2ccccc2)c1Cl

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.52
PTGS1 P23219 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
PTGS2 P35354 1/20 0.43
HPGD P15428 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CYP1A2 P05177 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
RECQL P46063 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SMO Q99835 1/20 0.39

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
SCHEMBL21934974 0.81 KMT2A (0.50) SMN1; SMN2HPGDKDM4EHSD17B10NPC1
SCHEMBL12859488 0.81 BRAF (0.47) BRAFPTGS1SMN1; SMN2ALDH1A1
SCHEMBL15715929 0.80 SMN1; SMN2 (0.49) PTGS1SMN1; SMN2PTGS2HPGDNPC1
SCHEMBL17291092 0.80 ALDH1A1 (0.43) BRAFPTGS1SMN1; SMN2PTGS2HPGD
SCHEMBL12871680 0.80 PTGS1 (0.46) BRAFPTGS1SMN1; SMN2PTGS2HPGD
SCHEMBL14747815 0.79 PTGS2 (0.54) PTGS1PTGS2NPC1RAB9ACYP1A2
SCHEMBL13602488 0.77 SMN1; SMN2 (0.57) BRAFSMN1; SMN2HPGDKDM4EHSD17B10
SCHEMBL9026152 0.77 SMN1; SMN2 (0.49) BRAFSMN1; SMN2HPGDKDM4EHSD17B10
SCHEMBL3381488 0.76 BRAF (0.43) BRAFPTGS1SMN1; SMN2PTGS2NPSR1
SCHEMBL20995055 0.76 SMN1; SMN2 (0.46) SMN1; SMN2HPGDKDM4ECYP1A2ALDH1A1

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
WO-2023192901-A9 QUINOLINE DERIVATIVES AS MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS ESCIENT PHARMACEUTICALS, INC. (US) 2023-12-14 WO disclosed
WO-2023192901-A1 QUINOLINE DERIVATIVES AS MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS ESCIENT PHARMACEUTICALS, INC. (US) 2023-10-05 WO disclosed
US-8455398-B2 Amide compounds, preparation methods and uses thereof SINOCHEM CORPORATION (CN) 2013-06-04 US disclosed
US-7566683-B2 Ethylene derivatives and pesticides containing said derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-07-28 US disclosed
US-20070049495-A1 Ethylene derivatives and pesticides containing said derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2007-03-01 US disclosed
US-20070049495-A1 Ethylene derivatives and pesticides containing said derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2007-03-01 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-20070049495-A1 Ethylene derivatives and pesticides containing said derivatives DDT, ECE1, EBPL BRAF 2260/4885PTGS1 641/4885SMN1; SMN2 4729/4885

“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.