SCHEMBL27202075

SCHEMBL27202075

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
HSD17B10 Q99714 2/20 0.47
USP2 O75604 1/20 0.47
TSHR P16473 1/20 0.47
HTR6 P50406 1/20 0.40
SCN9A Q15858 1/20 0.39
HTT P42858 1/20 0.39
SIGMAR1 Q99720 2/20 0.39
ADRB2 P07550 1/20 0.36
CYP1A2 P05177 3/20 0.35
KDM4E B2RXH2 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
P2RY14 Q15391 1/20 0.35
EPHX2 P34913 1/20 0.34
CYP2C9 P11712 2/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR3E A5X5Y0 1/20 0.34
HTR3B O95264 1/20 0.34
ADRB1 P08588 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
SCHEMBL27202080 0.88 ALDH1A1 (0.43) ALDH1A1HSD17B10USP2TSHRHTR6
SCHEMBL27202096 0.85 ALDH1A1 (0.40) ALDH1A1HSD17B10USP2TSHRHTR6
SCHEMBL27202078 0.84 ALDH1A1 (0.39) ALDH1A1HSD17B10USP2TSHRHTR6
SCHEMBL27202089 0.82 ALDH1A1 (0.50) ALDH1A1HSD17B10USP2TSHRHTR6
SCHEMBL27202102 0.81 ALDH1A1 (0.37) ALDH1A1HSD17B10USP2TSHRHTR6
SCHEMBL27202083 0.81 RAB9A (0.44) ALDH1A1HSD17B10CYP1A2KDM4ECYP2C9
SCHEMBL966950 0.80 ALDH1A1 (0.36) ALDH1A1HSD17B10TSHRHTTADRB2
SCHEMBL963334 0.78 ALDH1A1 (0.35) ALDH1A1HSD17B10TSHRHTTKDM4E
SCHEMBL1579904 0.75 ALDH1A1 (0.48) ALDH1A1HSD17B10USP2TSHRHTR6
SCHEMBL27202084 0.74 ALDH1A1 (0.49) 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.