SCHEMBL20186937

SCHEMBL20186937

Clc1ccc(/C=N\c2ccc(Cl)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.67
CA1 P00915 2/20 0.67
CA9 Q16790 2/20 0.67
CA12 O43570 1/20 0.67
MAOB P27338 2/20 0.56
KDM4E B2RXH2 2/20 0.54
ALDH1A1 P00352 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
HSD17B10 Q99714 2/20 0.54
MEN1 O00255 1/20 0.54
TP53 P04637 1/20 0.54
MAPT P10636 1/20 0.54
THRB P10828 1/20 0.54
ALOX15 P16050 1/20 0.54
MAPK1 P28482 1/20 0.54
KMT2A Q03164 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
ACHE P22303 1/20 0.51

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
SCHEMBL2454125 1.00 CA2 (0.67) CA2CA1CA9CA12MAOB
SCHEMBL2454124 1.00 CA2 (0.67) CA2CA1CA9CA12MAOB
SCHEMBL11411078 1.00 CA2 (0.67) CA2CA1CA9CA12MAOB
SCHEMBL11411073 1.00 CA2 (0.67) CA2CA1CA9CA12MAOB
SCHEMBL11416385 0.89 CA1 (0.57) CA2CA1CA9CA12MAOB
SCHEMBL2394006 0.89 CA2 (0.57) CA2CA1CA9CA12MAOB
SCHEMBL11450591 0.89 CA2 (0.61) CA2CA1CA9CA12MAOB
SCHEMBL28398293 0.89 CA1 (0.57) CA2CA1CA9CA12MAOB
SCHEMBL19953068 0.89 CA1 (0.57) CA2CA1CA9CA12MAOB
SCHEMBL28756391 0.89 CA2 (0.61) CA2CA1CA9CA12MAOB

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-10335775-B2 Magnetically separable iron-based heterogeneous catalysts for dehydrogenation of alcohols and amines COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2019-07-02 US disclosed
US-10335775-B2 Magnetically separable iron-based heterogeneous catalysts for dehydrogenation of alcohols and amines COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2019-07-02 US disclosed
US-20180147568-A1 MAGNETICALLY SEPARABLE IRON-BASED HETEROGENEOUS CATALYSTS FOR DEHYDROGENATION OF ALCOHOLS AND AMINES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2018-05-31 US disclosed
US-20180147568-A1 MAGNETICALLY SEPARABLE IRON-BASED HETEROGENEOUS CATALYSTS FOR DEHYDROGENATION OF ALCOHOLS AND AMINES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2018-05-31 US disclosed
US-20180147568-A1 MAGNETICALLY SEPARABLE IRON-BASED HETEROGENEOUS CATALYSTS FOR DEHYDROGENATION OF ALCOHOLS AND AMINES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2018-05-31 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-20180147568-A1 MAGNETICALLY SEPARABLE IRON-BASED HETEROGENEOUS CATALYSTS FOR DEHYDROGENATION OF ALCOHOLS AND AMINES ADH1A, ADH1C, ADH5 CA2 3031/4885CA1 1656/4885CA9 1812/4885
US-10335775-B2 Magnetically separable iron-based heterogeneous catalysts for dehydrogenation of alcohols and amines ADH1A, ADH1C, ADH5 CA2 3031/4885CA1 1656/4885CA9 1812/4885

“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.