SCHEMBL26207348

SCHEMBL26207348

COc1cc(Cl)c(C2CC2)c(Br)c1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
HTR1A P08908 5/20 0.36
SLC6A4 P31645 3/20 0.36
ALDH1A1 P00352 1/20 0.36
GRM2 Q14416 1/20 0.35
STAT1 P42224 1/20 0.33
IGF1R P08069 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
TAS1R2 Q8TE23 1/20 0.32
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31

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
SCHEMBL23043281 0.84 HTR1A (0.32) HTR1ASLC6A4
SCHEMBL29680450 0.84 HTR1A (0.32) HTR1ASLC6A4
SCHEMBL30711797 0.79 CA12 (0.32)
SCHEMBL31243107 0.78 HTR1A (0.31) HTR1ASLC6A4
SCHEMBL25533309 0.77 KMT2A (0.35) ALDH1A1
SCHEMBL29207265 0.74 ROR1 (0.34) SLC6A4ALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL29679938 0.73 HSD17B10 (0.39)
SCHEMBL28906398 0.73 CYP3A4 (0.39) ALDH1A1
SCHEMBL23043132 0.73 HSD17B10 (0.39)
SCHEMBL31243002 0.73 CYP3A4 (0.39) ALDH1A1

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-20230279025-A1 KRAS G12D INHIBITORS ARRAY BIOPHARMA INC. 2023-09-07 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-20230279025-A1 KRAS G12D INHIBITORS KRAS, NRAS, HRAS MAOA 4869/4885MAOB 4848/4885HTR1A 4829/4885

“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.