SCHEMBL10090702

SCHEMBL10090702

Cc1ccc(/C=N/c2ccccc2C(N)=O)o1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 11/20 1.00
▸ HPGD P15428 9/20 1.00
▸ SMN1; SMN2 Q16637 6/20 1.00
▸ RAB9A P51151 5/20 1.00
▸ NPC1 O15118 4/20 1.00
▸ L3MBTL1 Q9Y468 2/20 1.00
▸ KDM4E B2RXH2 8/20 0.65
▸ USP2 O75604 1/20 0.65
▸ GAA P10253 1/20 0.65
▸ LMNA P02545 4/20 0.63
▸ MAPT P10636 4/20 0.63
▸ HTT P42858 1/20 0.61
▸ HSD17B10 Q99714 2/20 0.57
▸ TP53 P04637 2/20 0.57
▸ UBE2I P63279 1/20 0.57
▸ SAE1 Q9UBE0 1/20 0.57
▸ UBA2 Q9UBT2 1/20 0.57
▸ MEN1 O00255 4/20 0.51
▸ KMT2A Q03164 4/20 0.51
▸ AKR1C3 P42330 2/20 0.51

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
SCHEMBL16096538 0.82 ALDH1A1 (0.69) ALDH1A1HPGDSMN1; SMN2RAB9ANPC1
SCHEMBL16096539 0.82 ALDH1A1 (0.69) ALDH1A1HPGDSMN1; SMN2RAB9ANPC1
SCHEMBL2300791 0.80 HPGD (0.69) ALDH1A1HPGDSMN1; SMN2RAB9ANPC1
SCHEMBL2300785 0.80 HPGD (0.69) ALDH1A1HPGDSMN1; SMN2RAB9ANPC1
SCHEMBL16098031 0.78 ALDH1A1 (0.64) ALDH1A1HPGDSMN1; SMN2RAB9ANPC1
SCHEMBL16098029 0.78 ALDH1A1 (0.64) ALDH1A1HPGDSMN1; SMN2RAB9ANPC1
SCHEMBL2530478 0.78 ALDH1A1 (0.64) ALDH1A1HPGDSMN1; SMN2RAB9ANPC1
SCHEMBL30824636 0.78 ALDH1A1 (0.64) ALDH1A1HPGDSMN1; SMN2RAB9ANPC1
SCHEMBL2530480 0.78 ALDH1A1 (0.64) ALDH1A1HPGDSMN1; SMN2RAB9ANPC1
SCHEMBL10090703 0.78 ALDH1A1 (1.00) ALDH1A1HPGDSMN1; SMN2RAB9ANPC1

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-20160166553-A1 ANTIMETASTATIC COMPOUNDS UNIV BRIGHAM YOUNG (US) 2016-06-16 — — US disclosed
US-20160166553-A1 ANTIMETASTATIC COMPOUNDS UNIV BRIGHAM YOUNG (US) 2016-06-16 — — US disclosed
US-20130158035-A1 ANTIMETASTATIC COMPOUNDS BRIGHAM YOUNG UNIVERSITY (US) 2013-06-20 — — US disclosed
US-20130158035-A1 ANTIMETASTATIC COMPOUNDS BRIGHAM YOUNG UNIVERSITY (US) 2013-06-20 — — US disclosed
WO-2012027392-A2 ANTIMETASTATIC COMPOUNDS BRIGHAM YOUNG UNIVERSITY (US) 2012-03-01 — — 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 (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-20130158035-A1 ANTIMETASTATIC COMPOUNDS MET, HGFAC, HGF ALDH1A1 855/4885HPGD 2221/4885SMN1; SMN2 4322/4885
US-20160166553-A1 ANTIMETASTATIC COMPOUNDS MET, HGFAC, HGF ALDH1A1 855/4885HPGD 2221/4885SMN1; SMN2 4322/4885

“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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