SCHEMBL2155134

SCHEMBL2155134

CC(C)c1cc(-c2ccc(N)c(C(C)C)c2)ccc1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
TDP1 Q9NUW8 5/20 0.48
CYP3A4 P08684 5/20 0.48
TSHR P16473 3/20 0.48
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
HSD17B10 Q99714 3/20 0.43
POLB P06746 3/20 0.43
MAPK1 P28482 2/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.43
HPGD P15428 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALOX15 P16050 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
GFER P55789 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
GAA P10253 2/20 0.35
ALOX12 P18054 1/20 0.35

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
Hydrochloric Acid SCHEMBL9800282 0.98 ALDH1A1 (0.46) ALDH1A1TDP1CYP3A4TSHRKMT2A
Formaldehyde SCHEMBL22802134 0.93 ALDH1A1 (0.43) ALDH1A1TDP1CYP3A4TSHRKMT2A
SCHEMBL5386210 0.91 ALDH1A1 (0.46) ALDH1A1TDP1CYP3A4TSHRKMT2A
Sulfur Dioxide SCHEMBL20572685 0.91 ALDH1A1 (0.41) ALDH1A1TDP1CYP3A4TSHRKMT2A
SCHEMBL22554694 0.89 HSD17B10 (0.47) ALDH1A1TDP1CYP3A4TSHRKMT2A
SCHEMBL9515040 0.89 HSD17B10 (0.47) ALDH1A1TDP1CYP3A4TSHRKMT2A
SCHEMBL2755203 0.88 ALDH1A1 (0.39) ALDH1A1TDP1CYP3A4TSHRKMT2A
SCHEMBL2770647 0.81 ALDH1A1 (0.44) ALDH1A1TDP1CYP3A4TSHRKMT2A
SCHEMBL33893 0.80 CASP1 (0.42) ALDH1A1TDP1CYP3A4TSHRKMT2A
SCHEMBL29433029 0.80 CASP1 (0.42) ALDH1A1TDP1CYP3A4TSHRKMT2A

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
EP-2519532-A1 PHOSPHINYL AMIDINE COMPOUNDS, METAL COMPLEXES, CATALYST SYSTEMS, AND THEIR USE TO OLIGOMERIZE OR POLYMERIZE OLEFINS Chevron Phillips Chemical Company LP (US) 2012-11-07 EP disclosed
WO-2011082192-A1 PHOSPHINYL AMIDINE COMPOUNDS, METAL COMPLEXES, CATALYST SYSTEMS, AND THEIR USE TO OLIGOMERIZE OR POLYMERIZE OLEFINS CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2011-07-07 WO disclosed
US-7202359-B2 Azaoxa heterocyclic compound and method of preparing the same CHANG CHUN PLASTICS CO., LTD. (TW) 2007-04-10 US disclosed
US-20050085634-A1 Azaoxa heterocyclic compound and method of preparing the same CHANG CHUN PLASTICS CO., LTD. (TW) 2005-04-21 US disclosed
US-20040068084-A1 Azaoxa heterocyclic compound and method of preparing the same CHANG CHUN PLASTICS CO., LTD. (TW) 2004-04-08 US disclosed
US-5493011-A PIGMENTING HIGH MOLECULAR WEIGHT NATURAL OR SYNTHETIC ORGANIC MATERIALS HOECHST AG (DE) 1996-02-20 US disclosed
EP-0518909-B1 WATER-INSOLUBLE AZO DYES, THEIR MANUFACTURE AND USE HOECHST AG (DE) 1994-05-25 EP disclosed
EP-0518909-A1 WATER-INSOLUBLE AZO DYES, THEIR MANUFACTURE AND USE. HOECHST AG (DE) 1992-12-23 EP disclosed
WO-1991013941-A1 WATER-INSOLUBLE AZO DYES, THEIR MANUFACTURE AND USE HOECHST AKTIENGESELLSCHAFT (DE) 1991-09-19 WO disclosed
US-4165319-A Isoindoline pigments CIBA-GEIGY CORPORATION (US) 1979-08-21 US 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 (2 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-20040068084-A1 Azaoxa heterocyclic compound and method of preparing the same AOX1, KDM1A, BMI1 ALDH1A1 81/4885TDP1 2646/4885CYP3A4 1456/4885
US-20050085634-A1 Azaoxa heterocyclic compound and method of preparing the same AOX1, KDM1A, BMI1 ALDH1A1 116/4885TDP1 3195/4885CYP3A4 1249/4885

“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.