SCHEMBL5618307

SCHEMBL5618307

C=CCc1c(OCCN)noc1-c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
LTA4H P09960 2/20 0.33
KDM4E B2RXH2 2/20 0.33
PLA2G2A P14555 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.31
NOTUM Q6P988 1/20 0.31
S1PR1 P21453 1/20 0.30
PDE4B Q07343 1/20 0.30
PTPN1 P18031 1/20 0.30

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 SCHEMBL8380143 0.99 TP53 (0.38) TP53MAPK1RAB9ATAAR1LTA4H
SCHEMBL5820940 0.87 PDE4B (0.30) PDE4BPTPN1
Hydrochloric Acid SCHEMBL8377364 0.85 TP53 (0.38) TP53MAPK1RAB9ATAAR1LTA4H
Hydrochloric Acid SCHEMBL8377367 0.85 TP53 (0.38) TP53MAPK1RAB9ATAAR1LTA4H
SCHEMBL5618298 0.82 MAPK1 (0.39) TP53MAPK1RAB9ATAAR1LTA4H
Hydrochloric Acid SCHEMBL8380041 0.81 MAPK1 (0.41) TP53MAPK1RAB9ATAAR1LTA4H
SCHEMBL5618194 0.80 S1PR1 (0.44) TP53MAPK1RAB9ATAAR1KDM4E
SCHEMBL5617601 0.79 TP53 (0.36) TP53MAPK1RAB9ATAAR1LTA4H
Hydrochloric Acid SCHEMBL8376870 0.79 S1PR1 (0.43) TP53MAPK1RAB9ATAAR1KDM4E
Hydrochloric Acid SCHEMBL8377332 0.78 TP53 (0.38) TP53MAPK1RAB9ATAAR1LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070078172-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2007-04-05 US claimed
EP-0885891-A1 ISOXAZOLE DERIVATIVES SANKYO COMPANY LIMITED (JP) 1998-12-23 EP claimed
US-20070078172-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2007-04-05 US disclosed
WO-2006138475-A2 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2006-12-28 WO disclosed
US-6005116-A HAVE INHIBITION ACTIVITIES AGAINST TYPE A-MONOAMINE OXIDASE; TREATING OR PREVENTING DEPRESSION, PARKINSON'S DISEASE, ALZEHEIMER'S DEMENTIA, OR CEREBROVASCULAR DEMENTIA SANKYO COMPANY, LIMITED (JP) 1999-12-21 US disclosed
EP-0885891-A1 ISOXAZOLE DERIVATIVES SANKYO COMPANY LIMITED (JP) 1998-12-23 EP 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-20070078172-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY MAOB, MAOA, GPR119 TP53 4879/4885MAPK1 1645/4885RAB9A 3058/4885

“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.