SCHEMBL7091735

SCHEMBL7091735

O=C1CC(c2ccc(Cl)cc2)NN1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 3/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
ALDH1A1 P00352 4/20 0.39
POLB P06746 1/20 0.39
ALOX12 P18054 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TP53 P04637 2/20 0.36
RAB9A P51151 1/20 0.36
MAP1LC3B Q9GZQ8 1/20 0.36
KMT2A Q03164 3/20 0.36
HPGD P15428 2/20 0.36
MEN1 O00255 2/20 0.36
LMNA P02545 1/20 0.36
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
GAA P10253 1/20 0.35
CXCR5 P32302 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
SCHEMBL10228790 0.81 MAPT (0.39) ALDH1A1ALOX12SMN1; SMN2MAP1LC3BKMT2A
SCHEMBL5179397 0.80 SMN1; SMN2 (0.43) ALDH1A1SMN1; SMN2HSD17B10KMT2AMEN1
SCHEMBL8442229 0.78 SLC6A3 (0.43) SLC6A3SLC6A2SLC6A4ALDH1A1POLB
SCHEMBL8993494 0.77 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2KMT2AMEN1KDM4E
SCHEMBL1499046 0.76 TP53 (0.41) SLC6A3SLC6A2SLC6A4ALDH1A1POLB
SCHEMBL4624667 0.74 SLC6A3 (0.45) SLC6A3SLC6A2SLC6A4ALDH1A1POLB
SCHEMBL4622829 0.72 SRD5A1 (0.46) SLC6A3SLC6A2SLC6A4ALDH1A1SMN1; SMN2
SCHEMBL29565262 0.71 ALDH1A1 (0.36) ALDH1A1ALOX12SMN1; SMN2KMT2AHPGD
SCHEMBL7980719 0.70 CYP19A1 (0.46) CYP3A4
SCHEMBL5969367 0.69 PDE4A (0.56) ALDH1A1POLBHSD17B10RAB9AKMT2A

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-20030176477-A1 Isothiazolecarboxylic acid derivatives and their use as microbicides NIHON BAYER AGROCHEM, K.K. (JP) 2003-09-18 US disclosed
EP-1261592-A1 ISOTHIAZOLECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS MICROBICIDES NIHON BAYER AGROCHEM K.K. (JP) 2002-12-04 EP disclosed
WO-2001055124-A1 ISOTHIAZOLECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS MICROBICIDES NIHON BAYER AGROCHEM K.K. (JP) 2001-08-02 WO 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-20030176477-A1 Isothiazolecarboxylic acid derivatives and their use as microbicides IFNG, MPO, CD14 SLC6A3 4639/4885SLC6A2 4836/4885SLC6A4 4466/4885

“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.