SCHEMBL27202089

SCHEMBL27202089

Cc1nnc(C(=O)O)c(N2CCNCC2)c1C(=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
HSD17B10 Q99714 3/20 0.50
TSHR P16473 2/20 0.50
USP2 O75604 1/20 0.50
HTR6 P50406 1/20 0.43
SIGMAR1 Q99720 2/20 0.41
TTR P02766 1/20 0.38
ADRB1 P08588 4/20 0.36
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
HTR3A P46098 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36
PDE10A Q9Y233 1/20 0.36
OPRD1 P41143 1/20 0.36
NCF1 P14598 2/20 0.35
ADRB2 P07550 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP3A4 P08684 1/20 0.35
NPC1 O15118 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
SCHEMBL27202076 0.90 ALDH1A1 (0.48) ALDH1A1HSD17B10TSHRUSP2HTR6
SCHEMBL27202075 0.82 ALDH1A1 (0.47) ALDH1A1HSD17B10TSHRUSP2HTR6
SCHEMBL27202087 0.78 ALDH1A1 (0.54) ALDH1A1HSD17B10TSHRUSP2HTR6
SCHEMBL27202066 0.73 ALDH1A1 (0.51) ALDH1A1HSD17B10TSHRUSP2HTR6
SCHEMBL27202080 0.73 ALDH1A1 (0.43) ALDH1A1HSD17B10TSHRUSP2HTR6
SCHEMBL27202055 0.72 HTR6 (0.50) ALDH1A1HSD17B10TSHRUSP2HTR6
SCHEMBL27207432 0.71 ADRB1 (0.39) ALDH1A1HSD17B10TSHRUSP2HTR6
SCHEMBL11816194 0.68 ALDH1A1 (0.45) ALDH1A1HSD17B10TSHRUSP2HTR6
SCHEMBL1046759 0.68 ALDH1A1 (1.00) ALDH1A1HSD17B10TSHRUSP2HTR6
SCHEMBL5707831 0.67 HTR6 (0.60) ALDH1A1HSD17B10TSHRUSP2HTR6

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 1255/4885TSHR 3360/4885

“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.