SCHEMBL4215736

SCHEMBL4215736

COC(=O)c1ccc(-c2cc(Cl)n3nccc3n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.46
▸ ALDH1A3 P47895 1/20 0.46
▸ PDE10A Q9Y233 1/20 0.46
▸ KDM4E B2RXH2 7/20 0.45
▸ RAB9A P51151 5/20 0.45
▸ NPC1 O15118 4/20 0.45
▸ GLA P06280 2/20 0.45
▸ MAPT P10636 5/20 0.43
▸ CCNE1 P24864 2/20 0.42
▸ CDK2 P24941 2/20 0.42
▸ HPGD P15428 4/20 0.42
▸ HSD17B10 Q99714 4/20 0.42
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ RHEB Q15382 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ NFKB2 Q00653 1/20 0.42
▸ RELA Q04206 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ TP53 P04637 2/20 0.42

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
SCHEMBL13778055 0.88 SDHB (0.47) ALDH1A1PDE10AKDM4ERAB9ANPC1
SCHEMBL13298007 0.81 ALDH1A1 (0.49) ALDH1A1ALDH1A3KDM4ERAB9ANPC1
SCHEMBL28449011 0.80 CCNT1 (0.53) ALDH1A1ALDH1A3PDE10AKDM4ERAB9A
SCHEMBL4258671 0.80 PDE10A (0.54) ALDH1A1PDE10AKDM4EHPGDHSD17B10
SCHEMBL312516 0.78 PDE10A (0.64) ALDH1A1ALDH1A3PDE10AKDM4ERAB9A
SCHEMBL4203250 0.78 CCNE1 (0.50) CCNE1CDK2HPGD
SCHEMBL13304943 0.76 PDE10A (0.53) PDE10ACCNE1CDK2PIK3CG
SCHEMBL13778098 0.76 PDE10A (0.56) PDE10ARAB9ANPC1CCNE1CDK2
SCHEMBL12953045 0.75 PIK3CG (0.67) ALDH1A1ALDH1A3PDE10AKDM4ERAB9A
SCHEMBL5460421 0.75 PDE10A (0.59) ALDH1A1PDE10AKDM4ERAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090182142-A1 Aromatic Compound FURUKUBO SHIGERU 2009-07-16 — — US disclosed
US-20090182142-A1 Aromatic Compound FURUKUBO SHIGERU 2009-07-16 — — US disclosed
US-20090182142-A1 Aromatic Compound FURUKUBO SHIGERU 2009-07-16 — — US disclosed
EP-1956009-A1 AROMATIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2008-08-13 — — EP disclosed
EP-1956009-A1 AROMATIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2008-08-13 — — 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-20090182142-A1 Aromatic Compound HRH4, CCR4, HRH3 ALDH1A1 1906/4885ALDH1A3 3461/4885PDE10A 2548/4885

“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.

Send feedback