SCHEMBL7088474

SCHEMBL7088474

[CH2]CCCCOc1ccccc1C#N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
KDM4E B2RXH2 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
GAA P10253 2/20 0.44
MAPK1 P28482 2/20 0.43
USP2 O75604 1/20 0.43
HPGD P15428 2/20 0.42
TSHR P16473 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
HTR1A P08908 2/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
MAOA P21397 1/20 0.41
HTR2B P41595 1/20 0.41
HTR7 P34969 1/20 0.41
POLB P06746 1/20 0.41
TP53 P04637 1/20 0.40

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
SCHEMBL5316945 0.89 ALDH1A1 (0.54) ALDH1A1KDM4ESMN1; SMN2GAAMAPK1
SCHEMBL3825769 0.82 ALDH1A1 (0.51) ALDH1A1KDM4ESMN1; SMN2GAAMAPK1
SCHEMBL8985764 0.82 ALDH1A1 (0.55) ALDH1A1KDM4ESMN1; SMN2GAAMAPK1
SCHEMBL5987538 0.82 ALDH1A1 (0.51) ALDH1A1KDM4ESMN1; SMN2GAAMAPK1
SCHEMBL3081344 0.82 ALDH1A1 (0.51) ALDH1A1KDM4ESMN1; SMN2GAAMAPK1
SCHEMBL10356325 0.82 ALDH1A1 (0.56) ALDH1A1KDM4ESMN1; SMN2GAAMAPK1
SCHEMBL7978087 0.81 ALDH1A1 (0.54) ALDH1A1KDM4ESMN1; SMN2GAAMAPK1
SCHEMBL31096462 0.81 ALDH1A1 (0.54) ALDH1A1KDM4ESMN1; SMN2GAAMAPK1
SCHEMBL536014 0.81 ALDH1A1 (0.49) ALDH1A1KDM4ESMN1; SMN2GAAMAPK1
SCHEMBL2975924 0.81 ALDH1A1 (0.58) ALDH1A1KDM4ESMN1; SMN2MAPK1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030008832-A1 Method of inhibiting neoplastic cells with benzimidazole derivatives OSI PHARMACEUTICALS, INC. 2003-01-09 US disclosed
EP-0779887-B1 NOVEL BENZIMIDAZOLE DERIVATIVES HAVING CGMP-PHOSPHODIESTERASE INHIBITING ACTIVITY OTSUKA PHARMA CO LTD (JP) 2001-05-23 EP disclosed
US-5998437-A ARTERIOSCLEROSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1999-12-07 US disclosed
EP-0779887-A1 NOVEL BENZIMIDAZOLE DERIVATIVES HAVING CGMP-PHOSPHODISTERASE INHIBITING ACTIVITY OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-06-25 EP disclosed
WO-1997003070-A1 NOVEL BENZIMIDAZOLE DERIVATIVES HAVING CGMP-PHOSPHODISTERASE INHIBITING ACTIVITY OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-01-30 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-20030008832-A1 Method of inhibiting neoplastic cells with benzimidazole derivatives MKI67, CCNI, TMBIM6 ALDH1A1 487/4885KDM4E 2132/4885SMN1; SMN2 4367/4885

“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.