SCHEMBL8722639

SCHEMBL8722639

Nc1ccccc1-c1ncon1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45
ACE2 Q9BYF1 1/20 0.44
IDO1 P14902 4/20 0.43
HSD17B10 Q99714 2/20 0.40
SENP7 Q9BQF6 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.36
KDM4E B2RXH2 3/20 0.36
NPC1 O15118 3/20 0.36
GAA P10253 3/20 0.36
RAB9A P51151 2/20 0.36
HPGD P15428 1/20 0.36
CASP6 P55212 1/20 0.35
ATAD2 Q6PL18 1/20 0.35
GPR68 Q15743 1/20 0.35
PPARA Q07869 1/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.35

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
SCHEMBL5475553 0.76 CASP3 (0.52) ALDH1A1IDO1HSD17B10SENP7SMN1; SMN2
SCHEMBL30584864 0.76 NPC1 (0.44) ALDH1A1L3MBTL1SENP7SMN1; SMN2NPC1
SCHEMBL10396259 0.76 NPC1 (0.44) ALDH1A1L3MBTL1SENP7SMN1; SMN2NPC1
SCHEMBL4337968 0.76 NPC1 (0.45) ALDH1A1L3MBTL1HSD17B10SENP7SMN1; SMN2
SCHEMBL1949784 0.76 RAB9A (0.43) ALDH1A1L3MBTL1IDO1HSD17B10SMN1; SMN2
SCHEMBL6422966 0.73 KDM4E (0.47) ALDH1A1L3MBTL1BCHEACHEHSD17B10
SCHEMBL29371089 0.73 NPC1 (0.51) ALDH1A1HSD17B10KDM4ENPC1RAB9A
SCHEMBL31155670 0.72 PLAU (0.37) ALDH1A1L3MBTL1ACHEHSD17B10SMN1; SMN2
SCHEMBL15332604 0.72 LMNA (0.41) ALDH1A1SMN1; SMN2GAAHPGDCASP6
SCHEMBL22455491 0.72 CASP6 (0.33) CASP6PPARAADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200299282-A1 COMPOUNDS AND METHODS FOR TREATING CANCER ANTIDOTE IP HOLDINGS LLC (US) 2020-09-24 US disclosed
US-20200299282-A1 COMPOUNDS AND METHODS FOR TREATING CANCER ANTIDOTE IP HOLDINGS LLC (US) 2020-09-24 US disclosed
US-5854261-A Prokinetic compounds JANSSEN PHARMACEUTICA N.V. (BE) 1998-12-29 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-20200299282-A1 COMPOUNDS AND METHODS FOR TREATING CANCER VHL, TP53, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 ALDH1A1 118/4885L3MBTL1 3400/4885BCHE 1460/4885

“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.