SCHEMBL6498262

SCHEMBL6498262

CCOC(=O)c1cccc(N2CCN(c3ncccn3)CC2)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.54
NPC1 O15118 2/20 0.54
ALOX5 P09917 1/20 0.52
KDM4E B2RXH2 1/20 0.51
RAB9A P51151 1/20 0.51
JMJD6 Q6NYC1 2/20 0.50
METAP1 P53582 1/20 0.50
ALDH1A1 P00352 3/20 0.49
MAPK1 P28482 1/20 0.49
ATM Q13315 1/20 0.49
PIK3CA P42336 1/20 0.49
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 2/20 0.48
ALOX15 P16050 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL6374844 0.86 RAB9A (0.66) MAPTNPC1KDM4ERAB9AMETAP1
SCHEMBL8698788 0.84 PLOD2 (0.56) MAPTALOX5ALDH1A1MAPK1ATM
SCHEMBL10144997 0.83 ALOX5 (0.60) MAPTNPC1ALOX5KDM4ERAB9A
SCHEMBL3097713 0.83 ALOX5 (0.60) MAPTNPC1ALOX5KDM4ERAB9A
SCHEMBL7657531 0.82 RAB9A (0.61) MAPTNPC1KDM4ERAB9AMETAP1
SCHEMBL6011450 0.82 ALDH1A1 (0.56) MAPTALOX5ALDH1A1MAPK1ATM
SCHEMBL7471294 0.81 NOS2 (0.48) MAPTALOX5JMJD6ALDH1A1MAPK1
SCHEMBL8698430 0.81 KMO (0.63) MAPTALOX5JMJD6ALDH1A1MAPK1
SCHEMBL2306348 0.81 ALOX5 (0.58) MAPTALOX5ALDH1A1MAPK1ATM
SCHEMBL6420684 0.80 ALOX5 (0.52) MAPTALOX5ALDH1A1MAPK1ATM

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 MAPT 4805/4885NPC1 3633/4885ALOX5 1213/4885

“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.