SCHEMBL6499993

SCHEMBL6499993

COC(=O)c1cc(N2CCC(N)CC2)ccc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
HPGD P15428 2/20 0.49
TSHR P16473 1/20 0.49
HSD17B10 Q99714 1/20 0.49
SIRT6 Q8N6T7 1/20 0.45
DPP4 P27487 1/20 0.44
MAPT P10636 5/20 0.41
KDM4E B2RXH2 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 1/20 0.41
HTR6 P50406 1/20 0.41
TTR P02766 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
HTT P42858 1/20 0.40
MAPK10 P53779 1/20 0.40
LGMN Q99538 1/20 0.39
OPRK1 P41145 2/20 0.39
FFAR4 Q5NUL3 1/20 0.38
NOTUM Q6P988 1/20 0.38

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
SCHEMBL6506082 0.88 ALDH1A1 (0.50) ALDH1A1HPGDTSHRHSD17B10SIRT6
SCHEMBL31032824 0.85 SIRT6 (0.50) ALDH1A1HPGDTSHRHSD17B10SIRT6
SCHEMBL194980 0.83 SIRT6 (0.49) ALDH1A1HPGDTSHRHSD17B10SIRT6
SCHEMBL2851594 0.83 ALDH1A1 (0.44) ALDH1A1HPGDTSHRHSD17B10SIRT6
SCHEMBL2851597 0.83 ALDH1A1 (0.44) ALDH1A1HPGDTSHRHSD17B10SIRT6
SCHEMBL6505700 0.83 ALDH1A1 (0.46) ALDH1A1HPGDTSHRHSD17B10SIRT6
SCHEMBL6499902 0.82 ALDH1A1 (0.50) ALDH1A1HPGDTSHRHSD17B10SIRT6
SCHEMBL23662583 0.81 MAPT (0.53) ALDH1A1HPGDTSHRHSD17B10SIRT6
SCHEMBL196025 0.81 SIRT6 (0.47) ALDH1A1HPGDTSHRHSD17B10SIRT6
SCHEMBL194695 0.80 SIRT6 (0.46) ALDH1A1HPGDTSHRHSD17B10SIRT6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050059669-A1 M-substituted benzoic acid derivatives having integrin alpha v beta 3 antagonistic activity AJITO KEIICHI (JP) 2005-03-17 US disclosed
EP-1229024-A1 m-SUBSTITUTED BENZOIC ACID DERIVATIVES EXHIBITING INTEGRIN ALPHA-V BETA-3 ANTAGONISM MEIJI SEIKA KAISHA LTD. (JP) 2002-08-07 EP 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-20050059669-A1 M-substituted benzoic acid derivatives having integrin alpha v beta 3 antagonistic activity ITGAV, ITGB3, ITGA4 ALDH1A1 1967/4885HPGD 4069/4885TSHR 741/4885

“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.