SCHEMBL15042986

SCHEMBL15042986

NC(=O)c1ccccc1/N=C/c1cccc(Cl)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 2/20 0.72
▸ ALDH1A1 P00352 10/20 0.71
▸ HPGD P15428 9/20 0.71
▸ KDM4E B2RXH2 8/20 0.71
▸ RAB9A P51151 4/20 0.71
▸ LMNA P02545 4/20 0.70
▸ MAPT P10636 3/20 0.70
▸ SMN1; SMN2 Q16637 4/20 0.64
▸ MEN1 O00255 2/20 0.64
▸ KMT2A Q03164 2/20 0.64
▸ GAA P10253 2/20 0.59
▸ USP2 O75604 1/20 0.59
▸ PBRM1 Q86U86 1/20 0.56
▸ NPC1 O15118 3/20 0.56
▸ HSD17B10 Q99714 2/20 0.56
▸ TP53 P04637 1/20 0.56
▸ AKR1C2 P52895 1/20 0.53
▸ AKR1C1 Q04828 1/20 0.53
▸ L3MBTL1 Q9Y468 2/20 0.52
▸ HTT P42858 1/20 0.52

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
SCHEMBL10090714 0.84 AKR1C3 (1.00) AKR1C3ALDH1A1HPGDKDM4ERAB9A
SCHEMBL10090703 0.83 ALDH1A1 (1.00) AKR1C3ALDH1A1HPGDKDM4ERAB9A
SCHEMBL10090692 0.83 AKR1C3 (0.72) AKR1C3ALDH1A1HPGDKDM4ERAB9A
SCHEMBL10090685 0.83 ALDH1A1 (1.00) AKR1C3ALDH1A1HPGDKDM4ERAB9A
SCHEMBL15042992 0.79 ALDH1A1 (0.58) AKR1C3ALDH1A1HPGDKDM4ERAB9A
SCHEMBL10090712 0.78 ALDH1A1 (1.00) AKR1C3ALDH1A1HPGDKDM4ERAB9A
SCHEMBL11420714 0.77 CHRM5 (0.58) AKR1C3ALDH1A1HPGDKDM4ERAB9A
SCHEMBL11420716 0.77 CHRM5 (0.58) AKR1C3ALDH1A1HPGDKDM4ERAB9A
SCHEMBL10090711 0.75 ALDH1A1 (0.68) AKR1C3ALDH1A1HPGDKDM4ERAB9A
SCHEMBL10090747 0.74 ALDH1A1 (0.72) AKR1C3ALDH1A1HPGDKDM4ERAB9A

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-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

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 AKR1C3 3153/4885ALDH1A1 855/4885HPGD 2221/4885
US-20160166553-A1 ANTIMETASTATIC COMPOUNDS MET, HGFAC, HGF AKR1C3 3153/4885ALDH1A1 855/4885HPGD 2221/4885

“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.

Send feedback