SCHEMBL9937577

SCHEMBL9937577

NCc1ccc(CN)nn1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 4/20 0.38
MAOA P21397 3/20 0.38
LOXL2 Q9Y4K0 6/20 0.36
HRH3 Q9Y5N1 1/20 0.33
MAOB P27338 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ABAT P80404 1/20 0.30

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
SCHEMBL31421529 0.86
SCHEMBL31124074 0.86 ALDH1A1 (0.34) NOTUMMAOAALDH1A1
SCHEMBL310415 0.84
Hydrochloric Acid SCHEMBL16050072 0.82 APLNR (0.35) NOTUMMAOA
Hydrochloric Acid SCHEMBL15240852 0.82 ALDH1A1 (0.50) NOTUMMAOALOXL2ALDH1A1
Hydrochloric Acid SCHEMBL22714432 0.82 APLNR (0.35) NOTUMMAOA
SCHEMBL3113246 0.80 NNMT (0.44) LOXL2MAOBCA12CA1CA2
SCHEMBL22234131 0.78 NPC1 (0.42) ALDH1A1
Hydrochloric Acid SCHEMBL22395334 0.78 NNMT (0.42) LOXL2MAOBCA12CA1CA2
Hydrochloric Acid SCHEMBL17824069 0.76 LOXL2 (0.43) NOTUMLOXL2CA12CA1CA2

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-10290819-B2 Metal complexes MERCK PATENT GMBH (DE) 2019-05-14 US disclosed
US-10290819-B2 Metal complexes MERCK PATENT GMBH (DE) 2019-05-14 US disclosed
US-8715635-B2 Frictionless molecular rotary motors TECHNION RESEARCH & DEVELOPMENT FOUNDATION LIMITED (IL) 2014-05-06 US disclosed
US-8715635-B2 Frictionless molecular rotary motors TECHNION RESEARCH & DEVELOPMENT FOUNDATION LIMITED (IL) 2014-05-06 US disclosed
US-20130284977-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2013-10-31 US disclosed
US-20130284977-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2013-10-31 US disclosed
US-20130284977-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2013-10-31 US disclosed
WO-2012079741-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2012-06-21 WO disclosed
WO-2012079741-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2012-06-21 WO disclosed
US-20100016610-A1 FRICTIONLESS MOLECULAR ROTARY MOTORS TECHNION RESEARCH & DEVELOPMENT FOUNDATION LTD. (IL) 2010-01-21 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-10290819-B2 Metal complexes PICALM, IMMT, IKZF3 NOTUM 38/4885MAOA 3863/4885LOXL2 4583/4885
US-20100016610-A1 FRICTIONLESS MOLECULAR ROTARY MOTORS DYNLL2, ATXN2L, DYNLL1 NOTUM 382/4885MAOA 2682/4885LOXL2 3736/4885

“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.