SCHEMBL27202080

SCHEMBL27202080

CNC(=O)c1nnc(C(F)(F)F)c(C(=O)c2ccccc2)c1N1CCNCC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
HSD17B10 Q99714 2/20 0.43
USP2 O75604 1/20 0.43
TSHR P16473 1/20 0.43
SCN9A Q15858 1/20 0.40
HTR6 P50406 1/20 0.39
HRH4 Q9H3N8 2/20 0.36
HTT P42858 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
IRAK4 Q9NWZ3 2/20 0.35
RXFP1 Q9HBX9 1/20 0.34
CYP2C9 P11712 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
CSF1R P07333 1/20 0.34
GAA P10253 1/20 0.34
KAT6A Q92794 1/20 0.34
BACE1 P56817 1/20 0.34
BRAF P15056 1/20 0.34
SOS1 Q07889 1/20 0.33

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
SCHEMBL27202096 0.88 ALDH1A1 (0.40) ALDH1A1HSD17B10USP2TSHRSCN9A
SCHEMBL27202075 0.88 ALDH1A1 (0.47) ALDH1A1HSD17B10USP2TSHRSCN9A
SCHEMBL27202078 0.87 ALDH1A1 (0.39) ALDH1A1HSD17B10USP2TSHRSCN9A
SCHEMBL27202083 0.84 RAB9A (0.44) ALDH1A1HSD17B10CYP2C9GAA
SCHEMBL27202102 0.83 ALDH1A1 (0.37) ALDH1A1HSD17B10USP2TSHRSCN9A
SCHEMBL27202054 0.77 HTR6 (0.46) ALDH1A1HSD17B10USP2TSHRSCN9A
SCHEMBL1579904 0.73 ALDH1A1 (0.48) ALDH1A1HSD17B10USP2TSHRSCN9A
SCHEMBL27202089 0.73 ALDH1A1 (0.50) ALDH1A1HSD17B10USP2TSHRHTR6
SCHEMBL27207381 0.73 SCD (0.43) SCN9AIRAK4CSF1RGAA
SCHEMBL27202055 0.72 HTR6 (0.50) ALDH1A1HSD17B10USP2TSHRHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240132431-A1 METHOD FOR ALKYLATING ACIDIC FUNCTIONAL GROUP CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-04-25 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-20240132431-A1 METHOD FOR ALKYLATING ACIDIC FUNCTIONAL GROUP MGMT, MCL1, FANCF ALDH1A1 446/4885HSD17B10 1255/4885USP2 3092/4885

“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.