SCHEMBL7090975

SCHEMBL7090975

CNNC=C(C#N)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.49
▸ ALDH1A1 P00352 12/20 0.45
▸ MAPT P10636 7/20 0.45
▸ RAB9A P51151 6/20 0.45
▸ MAPK1 P28482 3/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ GAA P10253 3/20 0.44
▸ ALOX12 P18054 2/20 0.44
▸ HTT P42858 2/20 0.44
▸ CYP1A2 P05177 2/20 0.42
▸ CYP2C9 P11712 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ NPC1 O15118 4/20 0.42
▸ LMNA P02545 5/20 0.38
▸ KDM4E B2RXH2 4/20 0.38
▸ HPGD P15428 3/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.35
▸ THRB P10828 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
SCHEMBL7090971 1.00 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1MAPTRAB9AMAPK1
SCHEMBL1342675 0.76 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1MAPTRAB9AMAPK1
SCHEMBL10177473 0.76 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1MAPTRAB9AMAPK1
SCHEMBL1342671 0.76 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1MAPTRAB9AMAPK1
SCHEMBL2037488 0.71 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1MAPTRAB9AMAPK1
SCHEMBL21872319 0.71 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1MAPTRAB9AMAPK1
SCHEMBL2037491 0.71 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1MAPTRAB9AMAPK1
SCHEMBL4900509 0.71 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1MAPTRAB9AMAPK1
SCHEMBL10741171 0.70 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1MAPTRAB9AMAPK1
SCHEMBL17412695 0.70 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1MAPTRAB9AMAPK1

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 SMN1; SMN2 4824/4885ALDH1A1 430/4885MAPT 4555/4885

“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.

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