SCHEMBL255629

SCHEMBL255629

CSCC(C)(C)C(=O)Nc1nnc(-c2cccnc2)s1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
RAB9A P51151 2/20 0.57
HDAC1 Q13547 2/20 0.54
HDAC2 Q92769 2/20 0.54
NPC1 O15118 2/20 0.53
MAPT P10636 3/20 0.50
BLM P54132 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.47
POLB P06746 1/20 0.47
RECQL P46063 1/20 0.47
DUSP3 P51452 1/20 0.47
PTPN5 P54829 1/20 0.47
PTPN11 Q06124 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
THRB P10828 2/20 0.47
GAA P10253 1/20 0.47
PKM P14618 2/20 0.47
MAPK8 P45983 3/20 0.44

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
SCHEMBL10249512 0.83 ALDH1A1 (0.56) ALDH1A1RAB9AHDAC1HDAC2NPC1
SCHEMBL13047546 0.81 CYP1A2 (0.51) ALDH1A1RAB9AHDAC1MAPTMEN1
SCHEMBL27911814 0.81 ALDH1A1 (0.56) ALDH1A1RAB9AHDAC1HDAC2NPC1
SCHEMBL27929806 0.79 ALDH1A1 (0.65) ALDH1A1RAB9AHDAC1HDAC2NPC1
SCHEMBL255987 0.79 HDAC1 (0.68) ALDH1A1RAB9AHDAC1HDAC2NPC1
SCHEMBL17589794 0.79 MEN1 (0.43) ALDH1A1RAB9AHDAC2NPC1MAPT
SCHEMBL13047710 0.79 MEN1 (0.45) ALDH1A1RAB9AMAPTMEN1KMT2A
SCHEMBL174582 0.78 ALDH1A1 (0.58) ALDH1A1RAB9AHDAC1HDAC2NPC1
SCHEMBL27911826 0.78 ALDH1A1 (0.58) ALDH1A1RAB9AHDAC1HDAC2NPC1
SCHEMBL174120 0.78 HSD17B10 (0.60) ALDH1A1RAB9ANPC1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8912338-B2 Pesticidal compositions Dow AgroScience, LLC. (US) 2014-12-16 US disclosed
US-8912338-B2 Pesticidal compositions Dow AgroScience, LLC. (US) 2014-12-16 US disclosed
US-20140057785-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2014-02-27 US disclosed
US-20140057785-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2014-02-27 US disclosed
WO-2012030681-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2012-03-08 WO disclosed
US-20120053146-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC 2012-03-01 US disclosed
US-20120053146-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC 2012-03-01 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-20120053146-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS ALDH1A1 1882/4885RAB9A 314/4885HDAC1 2005/4885
US-20140057785-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS ALDH1A1 1438/4885RAB9A 296/4885HDAC1 1679/4885

“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.