SCHEMBL21887627

SCHEMBL21887627

Nc1ccc(-c2nc3cc(Cc4ccc5nc(-c6ccc(N)cc6)[nH]c5c4)ccc3[nH]2)cc1

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 1/20 0.89
▸ SMN1; SMN2 Q16637 7/20 0.66
▸ MEN1 O00255 7/20 0.66
▸ KMT2A Q03164 7/20 0.66
▸ ALDH1A1 P00352 7/20 0.66
▸ MAPT P10636 7/20 0.66
▸ NPC1 O15118 7/20 0.66
▸ KDM4E B2RXH2 6/20 0.66
▸ RAB9A P51151 6/20 0.66
▸ GAA P10253 5/20 0.66
▸ GLA P06280 4/20 0.66
▸ GFER P55789 4/20 0.66
▸ RXFP1 Q9HBX9 3/20 0.66
▸ RECQL P46063 2/20 0.66
▸ CACNA1B Q00975 1/20 0.63
▸ APBA1 Q02410 1/20 0.63
▸ POLB P06746 6/20 0.62
▸ HPGD P15428 5/20 0.62
▸ HSD17B10 Q99714 3/20 0.62
▸ NFKB1 P19838 3/20 0.62

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
SCHEMBL29386878 0.94 NT5E (0.78) NT5ESMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL16273449 0.94 NT5E (0.78) NT5ESMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL23119357 0.94 NT5E (1.00) NT5ESMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL21096315 0.88 NT5E (0.86) NT5ESMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL419961 0.84 MEN1 (0.77) NT5ESMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL14684214 0.83 NT5E (0.61) NT5ESMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL15443982 0.82 MEN1 (0.87) NT5ESMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL24246741 0.81 NT5E (0.70) NT5ESMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL159873 0.80 ALDH1A1 (0.74) NT5ESMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL363703 0.80 MEN1 (1.00) NT5ESMN1; SMN2MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200093852-A1 Methods of Treating Ocular Disorders Beta Therapeutics Pty Ltd (AU) 2020-03-26 — — 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 (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-20200093852-A1 Methods of Treating Ocular Disorders ALDH1A2, HPSE, RB1 NT5E 862/4885SMN1; SMN2 4502/4885MEN1 3872/4885

“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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