SCHEMBL6741497

SCHEMBL6741497

Nc1cccc(-c2ccc(C(F)(F)F)cn2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 5/20 0.53
MAOB P27338 4/20 0.53
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
MAPT P10636 2/20 0.48
PKM P14618 1/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KIF11 P52732 1/20 0.47
MAP4K4 O95819 3/20 0.46
METAP2 P50579 1/20 0.45
CYP11B1 P15538 2/20 0.45
CYP11B2 P19099 2/20 0.45
MEN1 O00255 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL1416558 0.85 KDM1A (0.61) KDM1AMAOBKIF11KDM4EALDH1A1
SCHEMBL10203003 0.84 NPC1 (0.46) KDM1AMAOBTSHRNPC1RAB9A
SCHEMBL3388118 0.81 KDM1A (0.47) KDM1AMAOBKIF11CYP11B1CYP11B2
SCHEMBL27956294 0.81 HSD17B1 (0.63) KDM1AMAOBRAB9AKIF11METAP2
SCHEMBL6234240 0.81 KDM1A (0.64) KDM1AMAOBTSHRMAPK1IDO1
SCHEMBL16906523 0.81 KDM1A (0.50) KDM1AMAOBKIF11METAP2CYP11B1
SCHEMBL16894197 0.80 MAOB (0.47) KDM1AMAOBKIF11CYP11B1CYP11B2
SCHEMBL12293178 0.79 KDM1A (0.52) KDM1AMAOBKIF11KDM4EALDH1A1
SCHEMBL3180184 0.79 CYP11B1 (0.55) KDM1AMAOBTSHRNPC1RAB9A
SCHEMBL27783058 0.79 MAP4K4 (0.55) TSHRNPC1RAB9AMAPTMAP4K4

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-20040043903-A1 Herbicides; applying to plants BASF AKTIENGESELLSCHAFT (DE) 2004-03-04 US disclosed
EP-1335903-A1 2-ARYL-5-TRIFLUOROMETHYLPYRIDINES BASF AKTIENGESELLSCHAFT (DE) 2003-08-20 EP disclosed
WO-2002042275-A1 2-ARYL-5-TRIFLUOROMETHYLPYRIDINES BASF AKTIENGESELLSCHAFT (DE) 2002-05-30 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-20040043903-A1 Herbicides; applying to plants DDT, DRD1, DRD4 KDM1A 1117/4885MAOB 2123/4885TSHR 1003/4885

“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.