SCHEMBL4258396

SCHEMBL4258396

COC(=O)c1ccc(Oc2ccc(C#N)c(C#N)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
AR P10275 2/20 0.47
MAPT P10636 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
CYP19A1 P11511 1/20 0.46
KMT2A Q03164 1/20 0.44
USP2 O75604 1/20 0.44
HPGD P15428 2/20 0.44
ALDH1A1 P00352 2/20 0.44
SCN9A Q15858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CA12 O43570 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43

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
SCHEMBL28659069 0.91 USP2 (0.51) CA1CA2ARMAPTCYP1A2
SCHEMBL30360750 0.84 HPGD (0.61) ARMAPTCYP1A2CYP2C9CYP2C19
SCHEMBL20510941 0.84 HPGD (0.61) ARMAPTCYP1A2CYP2C9CYP2C19
SCHEMBL14094409 0.84 MAPT (0.48) CA1CA2ARMAPTCYP1A2
SCHEMBL14094399 0.84 CA12 (0.47) CA1CA2ARMAPTCYP19A1
SCHEMBL19292786 0.84 CYP19A1 (0.50) ARMAPTCYP19A1KMT2AHPGD
SCHEMBL8148281 0.84 CA1 (0.52) CA1CA2MAPTCYP1A2CYP3A4
SCHEMBL2955745 0.83 PARP15 (0.51) CYP19A1HPGDALDH1A1PARP15PARP10
SCHEMBL3717515 0.81 ERN1 (0.50) CA1CA2ALDH1A1TDP1CA12
SCHEMBL25314031 0.81 CA1 (0.53) CA1CA2MAPTKMT2AUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8714724-B2 Phase change inks containing novel synergist XEROX CORPORATION (US) 2014-05-06 US disclosed
US-8524891-B2 Tetraazaporphyrin-based compounds and their uses BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2013-09-03 US disclosed
US-8524891-B2 Tetraazaporphyrin-based compounds and their uses BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2013-09-03 US disclosed
US-8524891-B2 Tetraazaporphyrin-based compounds and their uses BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2013-09-03 US disclosed
US-20090215105-A1 Tetraazaporphyrin-Based Compounds and Their Uses NATIONAL SCIENCE FOUNDATION 2009-08-27 US disclosed
US-20090215105-A1 Tetraazaporphyrin-Based Compounds and Their Uses NATIONAL SCIENCE FOUNDATION 2009-08-27 US disclosed
US-20090215105-A1 Tetraazaporphyrin-Based Compounds and Their Uses NATIONAL SCIENCE FOUNDATION 2009-08-27 US disclosed
EP-1912921-A2 TETRAAZAPORPHYRIN-BASED COMPOUNDS AND THEIR USES Board Of Supervisors Of Louisiana State University And Agricultural And Mechanical College (US) 2008-04-23 EP disclosed
WO-2007009101-A2 TETRAAZAPORPHYRIN-BASED COMPOUNDS AND THEIR USES BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2007-01-18 WO disclosed
WO-2007009101-A2 TETRAAZAPORPHYRIN-BASED COMPOUNDS AND THEIR USES BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2007-01-18 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-20090215105-A1 Tetraazaporphyrin-Based Compounds and Their Uses DDB1, PPIF, SSBP1 CA1 1041/4885CA2 367/4885AR 4111/4885

“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.