SCHEMBL3786178

SCHEMBL3786178

Fc1ccc(NC(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
ALDH1A1 P00352 1/20 0.39
GAA P10253 2/20 0.37
IDO1 P14902 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
MAPK1 P28482 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
XBP1 P17861 1/20 0.36
HTT P42858 1/20 0.36
LMNA P02545 1/20 0.35
CA12 O43570 1/20 0.35
MMP2 P08253 1/20 0.35
TGM2 P21980 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 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
SCHEMBL6313165 0.76 MAPT (0.42) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL3651020 0.76 POLB (0.44) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL1011188 0.76 ALDH1A1 (0.44) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL2722652 0.76 MAPT (0.50) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL18229951 0.75 MAPT (0.36) MAPTALDH1A1GAAIDO1MEN1
SCHEMBL412378 0.74 ALDH1A1 (0.45) MAPTALDH1A1IDO1MEN1KMT2A
Hydrochloric Acid SCHEMBL1768868 0.72 ALDH1A1 (0.43) MAPTALDH1A1IDO1MEN1KMT2A
Hydrochloric Acid SCHEMBL7518126 0.72 ALDH1A1 (0.43) MAPTALDH1A1IDO1MEN1KMT2A
Fluoride SCHEMBL5178837 0.72 ALDH1A1 (0.43) MAPTALDH1A1IDO1MEN1KMT2A
Water SCHEMBL6244808 0.72 ALDH1A1 (0.43) MAPTALDH1A1IDO1MEN1KMT2A

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4423094-A1 RXFP1 MODULATORS FOR THE TREATMENT OF HEART FAILURE Bristol-Myers Squibb Company (US) 2024-09-04 EP disclosed
EP-4423068-A1 RXFP1 AGONISTS Bristol-Myers Squibb Company (US) 2024-09-04 EP disclosed
EP-4423058-A1 RXFP1 AGONISTS Bristol-Myers Squibb Company (US) 2024-09-04 EP disclosed
US-20230183488-A1 METHOD OF MANIPULATING HYDROPHILICITY AND HYDROPHOBICITY OF CONVENTIONAL DYE MOLECULES FOR TRACER APPLICATIONS SAUDI ARABIAN OIL COMPANY (SA) 2023-06-15 US disclosed
WO-2023077070-A1 RXFP1 AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-05-04 WO disclosed
WO-2023077041-A1 RXFP1 MODULATORS FOR THE TREATMENT OF HEART FAILURE BRISTOL-MYERS SQUIBB COMPANY (US) 2023-05-04 WO disclosed
WO-2023077040-A1 RXFP1 AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-05-04 WO disclosed
US-8778974-B2 Trisubstituted 1,2,4 triazoles JANSSEN PHARMACEUTICA NV (BE) 2014-07-15 US disclosed
EP-2257535-B1 TRISUBSTITUTED 1,2,4-TRIAZOLES AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2013-11-06 EP disclosed
US-20100324053-A1 TRISUBSTITUTED 1,2,4 TRIAZOLES JANSSEN PHARMACEUTICA NV (BE) 2010-12-23 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-20100324053-A1 TRISUBSTITUTED 1,2,4 TRIAZOLES CHRNA1, CHRNA5, CHRNE MAPT 1891/4885ALDH1A1 1718/4885GAA 3536/4885

“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.