SCHEMBL255989

SCHEMBL255989

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

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 12/20 0.77
HDAC2 Q92769 12/20 0.77
MAPT P10636 2/20 0.61
ALDH1A1 P00352 2/20 0.59
BLM P54132 2/20 0.57
RAB9A P51151 2/20 0.57
POLB P06746 1/20 0.57
RECQL P46063 1/20 0.57
DUSP3 P51452 1/20 0.57
PTPN5 P54829 1/20 0.57
PTPN11 Q06124 1/20 0.57
CTDSP1 Q9GZU7 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
NPC1 O15118 2/20 0.56
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
PKM P14618 1/20 0.49
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48

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
SCHEMBL27804580 0.87 HDAC1 (0.68) HDAC1HDAC2MAPTALDH1A1BLM
SCHEMBL12988751 0.86 HDAC1 (0.60) HDAC1HDAC2RAB9ANPC1HDAC3
SCHEMBL255987 0.82 HDAC1 (0.68) HDAC1HDAC2MAPTALDH1A1BLM
SCHEMBL23932950 0.81 ALDH1A1 (0.67) HDAC1HDAC2MAPTALDH1A1BLM
SCHEMBL13047868 0.79 CYP1A2 (0.53) HDAC1HDAC2MAPTALDH1A1RAB9A
SCHEMBL12986710 0.79 HDAC1 (0.77) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL174581 0.75 HDAC1 (0.59) HDAC1HDAC2MAPTALDH1A1BLM
SCHEMBL10793454 0.74 HDAC3 (0.71) HDAC1HDAC2ALDH1A1POLBRECQL
SCHEMBL27929806 0.74 ALDH1A1 (0.65) HDAC1HDAC2MAPTALDH1A1BLM
SCHEMBL17318625 0.74 NPC1 (0.63) HDAC1HDAC2MAPTALDH1A1BLM

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 HDAC1 2005/4885HDAC2 1169/4885MAPT 4323/4885
US-20140057785-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS HDAC1 1679/4885HDAC2 1291/4885MAPT 4481/4885

“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.