SCHEMBL7738530

SCHEMBL7738530

COc1cccc(CNO)c1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.62
ALDH1A1 P00352 2/20 0.61
HTT P42858 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
MMP13 P45452 1/20 0.61
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
HDAC1 Q13547 1/20 0.59
CHRM1 P11229 1/20 0.58
CHRM3 P20309 1/20 0.58
TAAR1 Q96RJ0 3/20 0.56
IDO1 P14902 2/20 0.56
AGXT P21549 2/20 0.56
LMNA P02545 1/20 0.56
GAA P10253 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
POLB P06746 1/20 0.55
HPGD P15428 1/20 0.55

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
Hydrochloric Acid SCHEMBL28327424 0.98 CHRM2 (0.60) CHRM2ALDH1A1HTTSMN1; SMN2MMP13
SCHEMBL1134127 0.86 CHRM2 (0.74) CHRM2ALDH1A1HTTSMN1; SMN2MMP13
Hydrochloric Acid SCHEMBL6122475 0.84 CHRM2 (0.72) CHRM2ALDH1A1HTTSMN1; SMN2MMP13
SCHEMBL27962852 0.84 CHRM2 (0.62) CHRM2ALDH1A1HTTSMN1; SMN2MMP13
SCHEMBL29370584 0.84 CHRM2 (0.68) CHRM2ALDH1A1HTTSMN1; SMN2MMP13
SCHEMBL297410 0.84 CHRM2 (0.68) CHRM2ALDH1A1HTTSMN1; SMN2MMP13
SCHEMBL18685365 0.84 CHRM2 (0.62) CHRM2ALDH1A1HTTSMN1; SMN2MMP13
SCHEMBL7917100 0.82 CHRM2 (0.60) CHRM2ALDH1A1HTTSMN1; SMN2MMP13
Hydrochloric Acid SCHEMBL4421884 0.82 CHRM2 (0.60) CHRM2ALDH1A1HTTSMN1; SMN2MMP13
SCHEMBL4916089 0.82 CHRM2 (0.81) CHRM2ALDH1A1HTTSMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6410700-B1 Glycan derivatives MACQUARIE RESEARCH LTD. (AU) 2002-06-25 US claimed
EP-1021455-A1 GLYCAN DERIVATIVES Macquarie Research Ltd. (AU) 2000-07-26 EP claimed
EP-1021455-A4 GLYCAN DERIVATIVES MACQUARIE RES LTD (AU) 2000-07-26 EP claimed
WO-1998015566-A1 GLYCAN DERIVATIVES MACQUARIE RESEARCH LTD. (AU) 1998-04-16 WO claimed
US-9616064-B2 Rho kinase inhibitors and methods of use H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2017-04-11 US disclosed
US-20140179689-A1 NOVEL RHO KINASE INHIBITORS AND METHODS OF USE H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2014-06-26 US disclosed
US-6410700-B1 Glycan derivatives MACQUARIE RESEARCH LTD. (AU) 2002-06-25 US disclosed
EP-1021455-A1 GLYCAN DERIVATIVES Macquarie Research Ltd. (AU) 2000-07-26 EP disclosed
EP-1021455-A4 GLYCAN DERIVATIVES MACQUARIE RES LTD (AU) 2000-07-26 EP disclosed
WO-1998015566-A1 GLYCAN DERIVATIVES MACQUARIE RESEARCH LTD. (AU) 1998-04-16 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-20140179689-A1 NOVEL RHO KINASE INHIBITORS AND METHODS OF USE ROCK1, ROCK2, RHOA CHRM2 1966/4885ALDH1A1 3573/4885HTT 1100/4885

“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.