SCHEMBL368051

SCHEMBL368051

NC1=CC=C(c2ccc(N)cc2)CC1([AsH2])[AsH2]

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
TAAR1 Q96RJ0 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
APP P05067 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
Hydrochloric Acid SCHEMBL7251953 0.98 CYP3A4 (0.36) CYP3A4TDP1ALDH1A1TP53TAAR1
SCHEMBL41543 0.78 CYP3A4 (0.39) CYP3A4TDP1ALDH1A1TP53TAAR1
SCHEMBL844893 0.77 CYP3A4 (0.37) CYP3A4TDP1ALDH1A1TP53TAAR1
SCHEMBL3615657 0.77 CYP3A4 (0.37) CYP3A4TDP1ALDH1A1TP53TAAR1
SCHEMBL548251 0.77 CYP3A4 (0.37) CYP3A4TDP1ALDH1A1TP53TAAR1
SCHEMBL4613513 0.77 CYP3A4 (0.37) CYP3A4TDP1ALDH1A1TP53TAAR1
SCHEMBL2697748 0.77 CYP3A4 (0.37) CYP3A4TDP1ALDH1A1TP53TAAR1
Hydrochloric Acid SCHEMBL71899 0.77 CYP3A4 (0.37) CYP3A4TDP1ALDH1A1TP53TAAR1
Hydrochloric Acid SCHEMBL3286109 0.77 CYP3A4 (0.37) CYP3A4TDP1ALDH1A1TP53TAAR1
SCHEMBL7895190 0.77 CYP3A4 (0.37) CYP3A4TDP1ALDH1A1TP53TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230181693-A1 METHODS OF TREATING INFLAMMATORY SKIN DISORDERS NEPSONE EHF (IS) 2023-06-15 US disclosed
US-8518390-B2 Treatment of stroke and other acute neural degenerative disorders via intranasal administration of umbilical cord-derived cells ADVANCED TECHNOLOGIES AND REGENERATIVE MEDICINE, LLC (US) 2013-08-27 US disclosed
US-20120014921-A1 TREATMENT OF STROKE AND OTHER ACUTE NEURAL DEGENERATIVE DISORDERS VIA INTRANASAL ADMINISTRATION OF UMBILICAL CORD-DERIVED CELLS ADVANCED TECHNOLOGIES AND REGENERATIVE MEDICINE, LLC (US) 2012-01-19 US disclosed
US-20020127605-A1 Bisubstituted carbocyclic cyclophilin binding compounds and their use GUILFORD PHARMACEUTICALS, INC. 2002-09-12 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-20120014921-A1 TREATMENT OF STROKE AND OTHER ACUTE NEURAL DEGENERATIVE DISORDERS VIA INTRANASAL ADMINISTRATION OF UMBILICAL CORD-DERIVED CELLS NES, DCX, NGF CYP3A4 4850/4885TDP1 1258/4885ALDH1A1 360/4885
US-20020127605-A1 Bisubstituted carbocyclic cyclophilin binding compounds and their use PPIG, PIN1, PPIH CYP3A4 251/4885TDP1 2493/4885ALDH1A1 1905/4885

“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.