SCHEMBL6846413

SCHEMBL6846413

Nc1cc(OC(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 2/20 0.42
TSHR P16473 1/20 0.42
KIF11 P52732 3/20 0.36
FFAR4 Q5NUL3 1/20 0.36
NR2E1 Q9Y466 1/20 0.36
IDO1 P14902 3/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
GMNN O75496 1/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
GAA P10253 1/20 0.34
CYP2C9 P11712 1/20 0.34
PKM P14618 1/20 0.34

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
SCHEMBL1242217 0.86 RAB9A (0.42) ALDH1A1MAPTMAPK1TSHRKIF11
SCHEMBL816372 0.84 MAPT (0.52) ALDH1A1MAPTMAPK1KIF11NPC1
SCHEMBL27213513 0.84 MAPT (0.46) ALDH1A1MAPTMAPK1KIF11NPC1
SCHEMBL4600736 0.84 IDO1 (0.41) MAPTKIF11FFAR4IDO1TRPV1
SCHEMBL26068821 0.84 TRPV1 (0.38) ALDH1A1MAPTMAPK1TSHRKIF11
SCHEMBL7186658 0.83 ALDH1A1 (0.47) ALDH1A1MAPTMAPK1TSHRKIF11
Hydrochloric Acid SCHEMBL8952497 0.81 ALDH1A1 (0.45) ALDH1A1MAPTMAPK1TSHRKIF11
SCHEMBL1100543 0.81 MAPT (0.50) ALDH1A1MAPTMAPK1TSHRKIF11
SCHEMBL21893893 0.79 ALDH1A1 (0.44) ALDH1A1MAPTMAPK1TSHRKIF11
SCHEMBL130736 0.79 L3MBTL1 (0.45) ALDH1A1MAPTMAPK1TSHRNR2E1

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
CN-118126030-A Preparation method of pyrazoline-1, 3, 4-oxadiazole thioacetamide derivative and application of pyrazoline-1, 3, 4-oxadiazole thioacetamide derivative as pesticide 贵州大学 2024-06-04 CN disclosed
US-20040092747-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BENDER STEVEN LEE (US) 2004-05-13 US disclosed
US-6635641-B2 For treating cancer and other disease states associated with unwanted angiogenesis and/or cellular proliferation such as diabetic retinopathy, neovascular glaucoma, rheumatoid arthritis, psoriasis AGOURON PHARMACEUTICALS, INC. 2003-10-21 US disclosed
EP-1252146-A1 AMIDE COMPOUNDS FOR INHIBITING PROTEIN KINASES AGOURON PHARMACEUTICALS, INC. (US) 2002-10-30 EP disclosed
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use AGOURON PHARMACEUTICALS, INC. 2002-08-01 US disclosed
WO-2001053274-A1 AMIDE COMPOUNDS FOR INHIBITING PROTEIN KINASES AGOURON PHARMACEUTICALS, INC. (US) 2001-07-26 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 (2 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-20040092747-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA ALDH1A1 3632/4885MAPT 899/4885MAPK1 45/4885
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA ALDH1A1 3632/4885MAPT 899/4885MAPK1 45/4885

“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.