SCHEMBL20186922

SCHEMBL20186922

Cc1ccc(/C=N\c2ccc(C)cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.74
CA2 P00918 4/20 0.67
PTGS2 P35354 3/20 0.67
CA9 Q16790 2/20 0.67
PTGS1 P23219 1/20 0.67
CA12 O43570 1/20 0.67
SMN1; SMN2 Q16637 4/20 0.61
NPC1 O15118 2/20 0.61
RAB9A P51151 2/20 0.61
KDM4E B2RXH2 4/20 0.59
L3MBTL1 Q9Y468 3/20 0.59
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
MAPT P10636 2/20 0.59
NPSR1 Q6W5P4 2/20 0.59
TP53 P04637 1/20 0.59
THRB P10828 1/20 0.59
ALOX15 P16050 1/20 0.59
MAPK1 P28482 1/20 0.59
HSD17B10 Q99714 1/20 0.59

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
SCHEMBL11588746 1.00 ALDH1A1 (0.74) ALDH1A1CA2PTGS2CA9PTGS1
SCHEMBL12633723 1.00 ALDH1A1 (0.74) ALDH1A1CA2PTGS2CA9PTGS1
SCHEMBL255410 1.00 ALDH1A1 (0.74) ALDH1A1CA2PTGS2CA9PTGS1
SCHEMBL11557679 1.00 ALDH1A1 (0.74) ALDH1A1CA2PTGS2CA9PTGS1
SCHEMBL28162394 0.91 ALDH1A1 (0.65) ALDH1A1CA2PTGS2CA9PTGS1
SCHEMBL14129141 0.91 ALDH1A1 (0.65) ALDH1A1CA2PTGS2CA9PTGS1
SCHEMBL13351563 0.89 ALDH1A1 (0.62) ALDH1A1CA2PTGS2CA9PTGS1
SCHEMBL18688365 0.89 ALDH1A1 (0.62) ALDH1A1CA2PTGS2CA9PTGS1
SCHEMBL11458614 0.89 S100B (0.66) ALDH1A1CA2PTGS2CA9PTGS1
SCHEMBL22366969 0.89 ALDH1A1 (0.62) ALDH1A1CA2PTGS2CA9PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3353165-B1 1,4-DI-(4-METHYLTHIOPHENYL)-3-PHTALOYLAZETIDINE-2-ONE AND THE DERIVATIVES THEREOF UNIV NANTES (FR) 2020-04-08 EP 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-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 ALDH1A1 97/4885CA2 3031/4885PTGS2 1065/4885
US-10335775-B2 Magnetically separable iron-based heterogeneous catalysts for dehydrogenation of alcohols and amines ADH1A, ADH1C, ADH5 ALDH1A1 97/4885CA2 3031/4885PTGS2 1065/4885

“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.