SCHEMBL12615985

SCHEMBL12615985

c1cc(-n2cnnn2)ccc1-n1cnnn1

nearest known ligand 0.78

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 6/20 0.78
▸ MAPT P10636 2/20 0.78
▸ F2 P00734 1/20 0.78
▸ KCNJ1 P48048 4/20 0.72
▸ ALDH1A1 P00352 3/20 0.69
▸ LMNA P02545 1/20 0.69
▸ HTT P42858 1/20 0.69
▸ HPGD P15428 1/20 0.55
▸ POLB P06746 1/20 0.55
▸ BLM P54132 1/20 0.55
▸ TDP1 Q9NUW8 1/20 0.55
▸ RAB9A P51151 1/20 0.53
▸ KMT2A Q03164 1/20 0.53

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
SCHEMBL1163779 0.89 NOTUM (0.64) NOTUMMAPTF2KCNJ1ALDH1A1
SCHEMBL8485436 0.89 KCNJ1 (0.66) NOTUMMAPTF2KCNJ1ALDH1A1
SCHEMBL311636 0.89 MAPT (1.00) NOTUMMAPTF2KCNJ1ALDH1A1
SCHEMBL82595 0.89 MAPT (0.69) NOTUMMAPTF2KCNJ1ALDH1A1
SCHEMBL11716535 0.87 NOTUM (0.62) NOTUMMAPTF2KCNJ1ALDH1A1
SCHEMBL3962509 0.85 NOTUM (0.95) NOTUMMAPTF2KCNJ1ALDH1A1
SCHEMBL28994295 0.85 NOTUM (0.95) NOTUMMAPTF2KCNJ1ALDH1A1
SCHEMBL1663879 0.85 KCNJ1 (1.00) NOTUMMAPTF2KCNJ1ALDH1A1
SCHEMBL16083829 0.85 NOTUM (0.77) NOTUMMAPTF2KCNJ1ALDH1A1
SCHEMBL18472557 0.83 KCNJ1 (0.70) NOTUMMAPTF2KCNJ1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3508488-A1 USE OF A COPPER(II) AZIDE COMPLEX AS A PRIMARY EXPLOSIVE EMTO GmbH (DE) 2019-07-10 — — EP disclosed
US-20130071328-A1 Propynoic Acid Carbamoyl Methyl-Amides and Pharmaceutical Compositions and Methods Based Thereon UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2013-03-21 — — US disclosed
WO-2012129452-A2 PROPYNOIC ACID CARBAMOYL METHYL-ALMIDES AND PHARMACEUTICAL COMPOSITIONS AND METHODS BASED THEREON UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2012-09-27 — — 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-20130071328-A1 Propynoic Acid Carbamoyl Methyl-Amides and Pharmaceutical Compositions and Methods Based Thereon RELA, NFE2, NCOA1 NOTUM 1022/4885MAPT 1137/4885F2 4686/4885

“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.

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