SCHEMBL1774579

SCHEMBL1774579

CCOC(=O)c1nccn1CC(=O)CCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HMOX1 P09601 1/20 0.44
TSHR P16473 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
NPC1 O15118 1/20 0.42
MEN1 O00255 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
ABCB1 P08183 1/20 0.40
TDP1 Q9NUW8 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
Hydrochloric Acid SCHEMBL1774577 0.99 MAPT (0.46) MAPTSMN1; SMN2HMOX1TSHRL3MBTL1
SCHEMBL10283950 0.85 HMOX1 (0.43) HMOX1TDP1
SCHEMBL28705151 0.83 KMT2A (0.48) MAPTNPC1MEN1KMT2A
SCHEMBL12605860 0.82 HMOX1 (0.41) SMN1; SMN2HMOX1L3MBTL1TDP1
SCHEMBL1593910 0.82 SMN1; SMN2 (0.55) MAPTSMN1; SMN2TSHRNPC1MAPK1
SCHEMBL18839661 0.82 L3MBTL1 (0.45) MAPTSMN1; SMN2TSHRL3MBTL1NPC1
SCHEMBL10247399 0.81 ALPL (0.49) HMOX1L3MBTL1TDP1
Hydrochloric Acid SCHEMBL1776317 0.80 ALPL (0.50) HMOX1L3MBTL1TDP1
SCHEMBL13031578 0.79 ALDH1A1 (0.40) MAPTSMN1; SMN2TSHRNPC1
SCHEMBL1776092 0.79 HMOX1 (0.44) HMOX1L3MBTL1TDP1

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-20140155445-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System QUEEN'S UNIVERSITY AT KINGSTON (CA) 2014-06-05 US disclosed
US-20140155445-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System QUEEN'S UNIVERSITY AT KINGSTON (CA) 2014-06-05 US disclosed
US-8513294-B2 Substituted imidazole derivatives and methods of use thereof for treating cancer OSTA BIOTECHNOLOGIES (CA) 2013-08-20 US disclosed
US-20110319459-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System OSTA BIOTECHNOLOGIES (CA) 2011-12-29 US disclosed
US-7943650-B2 Methods of treating cancer with imidazolyl compounds OSTA BIOTECHNOLOGIES (CA) 2011-05-17 US disclosed
US-20090176831-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System OSTA BIOTECHNOLOGIES (CA) 2009-07-09 US 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 (3 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-20110319459-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System TXNRD2, HMOX1, HMOX2 MAPT 889/4885SMN1; SMN2 213/4885HMOX1 2/4885
US-20140155445-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System HMOX1, HMOX2, CYC1 MAPT 549/4885SMN1; SMN2 95/4885HMOX1 1/4885
US-20090176831-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System HMOX1, HMOX2, CYC1 MAPT 424/4885SMN1; SMN2 122/4885HMOX1 1/4885

“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.