SCHEMBL16624932

SCHEMBL16624932

Cc1nc2cnc(Cl)cc2s1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.55
NPC1 O15118 5/20 0.55
RAB9A P51151 5/20 0.55
ALDH1A1 P00352 4/20 0.55
HSD17B10 Q99714 2/20 0.55
TP53 P04637 1/20 0.55
MAPT P10636 1/20 0.55
PKM P14618 1/20 0.55
HPGD P15428 1/20 0.55
GAA P10253 1/20 0.52
KCNH2 Q12809 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
ALOX15 P16050 1/20 0.39
ATM Q13315 1/20 0.39
CASP3 P42574 1/20 0.39

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
SCHEMBL25604729 0.85 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9AALDH1A1HSD17B10
SCHEMBL12041944 0.80 KMT2A (0.45) SMN1; SMN2NPC1RAB9AALDH1A1HSD17B10
SCHEMBL29501425 0.80 KMT2A (0.45) SMN1; SMN2NPC1RAB9AALDH1A1HSD17B10
SCHEMBL7920616 0.80 SMN1; SMN2 (0.59) SMN1; SMN2NPC1RAB9AALDH1A1HSD17B10
SCHEMBL21154640 0.78 KCNH2 (0.43) ALDH1A1KCNH2HRH3KMT2A
SCHEMBL25604320 0.78 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9AALDH1A1HSD17B10
SCHEMBL3711581 0.77 ALDH1A1 (0.48) SMN1; SMN2NPC1RAB9AALDH1A1HSD17B10
SCHEMBL30675593 0.77 KCNH2 (0.43) KCNH2HRH3
SCHEMBL20679583 0.77 KCNH2 (0.43) KCNH2HRH3
SCHEMBL29924638 0.77 ALDH1A1 (0.48) SMN1; SMN2NPC1RAB9AALDH1A1HSD17B10

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
WO-2022078971-A1 NOVEL COMPOUNDS AC IMMUNE SA (CH) 2022-04-21 WO disclosed
US-20210252175-A1 NOVEL COMPOUNDS FOR DIAGNOSIS AC IMMUNE SA (CH) 2021-08-19 US disclosed
US-20150099883-A1 ARYLOXYUREA COMPOUND AND PEST CONTROL AGENT NIPPON SODA CO., LTD. (JP) 2015-04-09 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-20210252175-A1 NOVEL COMPOUNDS FOR DIAGNOSIS SNCA, PARK7, NLN SMN1; SMN2 97/4885NPC1 1604/4885RAB9A 1610/4885
US-20150099883-A1 ARYLOXYUREA COMPOUND AND PEST CONTROL AGENT L3MBTL4, DDT, CHRM1 SMN1; SMN2 1634/4885NPC1 3786/4885RAB9A 1425/4885

“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.