SCHEMBL7104069

SCHEMBL7104069

O=C(Nc1cc[c]cc1)c1cccnc1Cl

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
HTT P42858 2/20 0.60
ALDH1A1 P00352 5/20 0.59
RAB9A P51151 3/20 0.59
MAPT P10636 3/20 0.59
NPC1 O15118 2/20 0.56
ATM Q13315 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.52
KDM4E B2RXH2 2/20 0.52
LMNA P02545 2/20 0.51
GRM4 Q14833 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
GFER P55789 1/20 0.50
PRKCI P41743 1/20 0.50
GAA P10253 1/20 0.49

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
SCHEMBL12300199 0.86 PRKCI (0.67) MEN1KMT2AHTTALDH1A1RAB9A
SCHEMBL3905888 0.84 MEN1 (0.72) MEN1KMT2AHTTALDH1A1RAB9A
SCHEMBL1499643 0.84 PRKCI (0.68) MEN1KMT2AHTTALDH1A1RAB9A
SCHEMBL15528739 0.83 MEN1 (0.67) MEN1KMT2AHTTALDH1A1RAB9A
SCHEMBL10971857 0.82 KMT2A (0.65) MEN1KMT2AHTTALDH1A1RAB9A
SCHEMBL7277038 0.81 ATM (0.67) MEN1KMT2AHTTALDH1A1RAB9A
SCHEMBL3121622 0.81 HTT (0.63) MEN1KMT2AHTTALDH1A1RAB9A
SCHEMBL14076919 0.81 MEN1 (0.67) MEN1KMT2AHTTALDH1A1RAB9A
SCHEMBL12292456 0.81 MEN1 (0.64) MEN1KMT2AHTTALDH1A1RAB9A
SCHEMBL12294087 0.81 MEN1 (0.67) MEN1KMT2AHTTALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0991619-B1 INHIBITORS OF ALPHA 4-BETA 1 MEDIATED CELL ADHESION TANABE SEIYAKU CO (JP) 2003-09-10 EP disclosed
US-6596752-B1 Small molecules that are potent inhibitors of alpha 4 beta 1 mediated adhesion to either VCAM or CS-1 and which could be useful for the treatment of inflammatory diseases. TANABE SEIYAKU CO., LTD. (JP) 2003-07-22 US disclosed
US-20030130349-A1 Inhibitors of alpha 4beta1 mediated cell adhesion TANABE SEIYAKU CO., LTD. 2003-07-10 US disclosed
US-6482849-B1 Inhibitors of α4β1 mediated cell adhesion TANABE SEIYAKU CO., LTD. (JP) 2002-11-19 US disclosed
EP-0991619-A1 INHIBITORS OF $g(a) 4?$g(b) 1?MEDIATED CELL ADHESION TANABE SEIYAKU CO., LTD. (JP) 2000-04-12 EP disclosed
WO-1998058902-A1 INHIBITORS OF α4β1MEDIATED CELL ADHESION TANABE SEIYAKU CO., LTD. (JP) 1998-12-30 WO 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-20030130349-A1 Inhibitors of alpha 4beta1 mediated cell adhesion VCAM1, ICAM1, ITGB1 MEN1 1388/4885KMT2A 4158/4885HTT 4778/4885

“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.