SCHEMBL9517322

SCHEMBL9517322

CC(CN1C(=O)c2ccccc2C1=O)C(=O)Cl

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
CA12 O43570 1/20 0.49
CA9 Q16790 1/20 0.49
ELANE P08246 1/20 0.47
KMT2A Q03164 5/20 0.46
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
CASP3 P42574 1/20 0.45
RAB9A P51151 1/20 0.44
MAPT P10636 1/20 0.44
MEN1 O00255 1/20 0.44

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
SCHEMBL4410547 0.84 ALDH1A1 (0.54) ALDH1A1CA12CA9ELANEKMT2A
SCHEMBL13459842 0.84 CA12 (0.55) ALDH1A1CA12CA9ELANEKMT2A
SCHEMBL9429799 0.82 ALDH1A1 (0.46) ALDH1A1CA12CA9ELANEKMT2A
SCHEMBL9429796 0.82 ALDH1A1 (0.46) ALDH1A1CA12CA9ELANEKMT2A
SCHEMBL4405142 0.80 ALDH1A1 (0.54) ALDH1A1CA12CA9ELANEKMT2A
SCHEMBL17280822 0.78 ALDH1A1 (0.64) ALDH1A1CA12CA9ELANEKMT2A
SCHEMBL6699242 0.78 ALDH1A1 (0.64) ALDH1A1CA12CA9ELANEKMT2A
SCHEMBL3435525 0.78 ALDH1A1 (0.64) ALDH1A1CA12CA9ELANEKMT2A
SCHEMBL29163025 0.78 ALDH1A1 (0.47) ALDH1A1CA12CA9ELANEKMT2A
SCHEMBL9340887 0.77 ALDH1A1 (0.53) ALDH1A1CA12CA9ELANEKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8728688-B2 Colored curable composition, color filter and method of producing the same, and dipyrromethene metal complex compound and tautomer thereof FUJIFILM CORPORATION (JP) 2014-05-20 US disclosed
US-20120315579-A1 COLORED CURABLE COMPOSITION, COLOR FILTER AND METHOD OF PRODUCING THE SAME, AND DIPYRROMETHENE METAL COMPLEX COMPOUND AND TAUTOMER THEREOF FUJIFILM CORPORATION (JP) 2012-12-13 US disclosed
EP-0333938-B1 2-HYDROXY-3-ARYLOXY-PROPYLAMINE DERIVATIVES HAVING CARDIOVASCULAR ACTIVITY ZAMBON GROUP S.p.A. (IT) 1993-04-14 EP disclosed
EP-0198325-B1 SUBSTITUTED ANILINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1992-07-15 EP disclosed
US-4891429-A CHEMICAL INTERMEDIATES HOFFMANN-LA ROCHE INC. (US) 1990-01-02 US disclosed
EP-0333938-A1 2-Hydroxy-3-aryloxy-propylamine derivatives having cardiovascular activity ZAMBON GROUP S.p.A. (IT) 1989-09-27 EP disclosed
US-4696930-A CARDIOVASCULAR DISORDERS, ANTICOAGULANTS HOFFMANN-LA ROCHE INC. (US) 1987-09-29 US disclosed
EP-0198325-A2 Substituted aniline derivatives F. HOFFMANN-LA ROCHE AG (CH) 1986-10-22 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-20120315579-A1 COLORED CURABLE COMPOSITION, COLOR FILTER AND METHOD OF PRODUCING THE SAME, AND DIPYRROMETHENE METAL COMPLEX COMPOUND AND TAUTOMER THEREOF MAPT, UACA, HELZ ALDH1A1 3722/4885CA12 183/4885CA9 478/4885

“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.