SCHEMBL9862039

SCHEMBL9862039

Nc1ccc(-c2nc3cc(-c4ccc5[nH]c(-c6ccc(N)cc6)nc5c4)ccc3[nH]2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.69
MAPT P10636 10/20 0.69
MEN1 O00255 10/20 0.69
KMT2A Q03164 10/20 0.69
SMN1; SMN2 Q16637 9/20 0.69
NPC1 O15118 9/20 0.69
KDM4E B2RXH2 8/20 0.69
HPGD P15428 8/20 0.69
RAB9A P51151 8/20 0.69
POLB P06746 7/20 0.69
GAA P10253 7/20 0.69
HSD17B10 Q99714 6/20 0.69
GFER P55789 5/20 0.69
GLA P06280 5/20 0.69
TP53 P04637 4/20 0.69
RXFP1 Q9HBX9 3/20 0.69
RECQL P46063 2/20 0.69
CACNA1B Q00975 2/20 0.66
APBA1 Q02410 2/20 0.66
NFKB1 P19838 3/20 0.65

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
SCHEMBL417825 0.93 ALDH1A1 (0.71) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL419961 0.93 MEN1 (0.77) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL10002475 0.93 ALDH1A1 (0.71) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL30307784 0.93 ALDH1A1 (0.74) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL28312335 0.93 ALDH1A1 (0.74) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL159873 0.93 ALDH1A1 (0.74) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL30533210 0.91 MEN1 (0.73) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL1655753 0.91 MEN1 (0.73) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL22906080 0.91 ALDH1A1 (0.58) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL6263502 0.91 ALDH1A1 (0.58) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10961202-B2 Bis-benzimidazole compounds and methods of using the same THE SCRIPPS RESEARCH INSTITUTE (US) 2021-03-30 US disclosed
US-10961202-B2 Bis-benzimidazole compounds and methods of using the same THE SCRIPPS RESEARCH INSTITUTE (US) 2021-03-30 US disclosed
US-20190152924-A1 BIS-BENZIMIDAZOLE COMPOUNDS AND METHODS OF USING THE SAME UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2019-05-23 US disclosed
US-20190152924-A1 BIS-BENZIMIDAZOLE COMPOUNDS AND METHODS OF USING THE SAME UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2019-05-23 US disclosed
EP-0410929-A2 Linear polymers CIBA-GEIGY AG (CH) 1991-01-30 EP 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-10961202-B2 Bis-benzimidazole compounds and methods of using the same HNRNPH1, HNRNPH3, HNRNPUL2 ALDH1A1 3412/4885MAPT 60/4885MEN1 1360/4885
US-20190152924-A1 BIS-BENZIMIDAZOLE COMPOUNDS AND METHODS OF USING THE SAME HNRNPH1, HNRNPH3, HNRNPUL2 ALDH1A1 3412/4885MAPT 60/4885MEN1 1360/4885

“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.