SCHEMBL6497273

SCHEMBL6497273

COC(=O)c1cc(N2CCC(N)CC2)cc(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.50
DDR1 Q08345 1/20 0.42
MAPT P10636 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
CNR1 P21554 1/20 0.41
FFAR4 Q5NUL3 4/20 0.40
DPP4 P27487 3/20 0.40
RHOA P61586 1/20 0.40
PHGDH O43175 1/20 0.40
CSF1R P07333 1/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
CACNA1B Q00975 1/20 0.39
TACR1 P25103 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL6501166 0.89 NOTUM (0.51) NOTUMDDR1MAPTTDP1CNR1
SCHEMBL6506081 0.83 ALDH1A1 (0.42) DDR1MAPTKDM4EALDH1A1NPC1
SCHEMBL6495928 0.82 NOTUM (0.45) NOTUMDDR1MAPTTDP1CNR1
SCHEMBL6507125 0.82 NOTUM (0.52) NOTUMDDR1MAPTCNR1RHOA
SCHEMBL19386233 0.81 NOTUM (0.51) NOTUMMAPTCNR1PHGDHPOLB
SCHEMBL6498473 0.80 DRD2 (0.47) NOTUMCNR1RHOAPHGDHCSF1R
Hydrochloric Acid SCHEMBL3281305 0.80 DPP4 (0.43) NOTUMDDR1MAPTDPP4KDM4E
Hydrochloric Acid SCHEMBL3282921 0.80 SIRT6 (0.43) MAPTKDM4EALDH1A1NPC1HPGD
Hydrochloric Acid SCHEMBL3281583 0.79 MRGPRX4 (0.46) MAPTKDM4EALDH1A1NPC1HPGD
SCHEMBL23456293 0.77 STS (0.49) NOTUMMAPTCNR1PHGDHALDH1A1

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 NOTUM 4092/4885DDR1 656/4885MAPT 4805/4885

“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.