SCHEMBL9996124

SCHEMBL9996124

Fc1ccc(COC(Cn2ccnc2)c2ccc(CCc3ccccc3)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 5/20 0.60
CYP3A4 P08684 4/20 0.53
TDP1 Q9NUW8 3/20 0.53
CYP1A2 P05177 3/20 0.53
CYP2C9 P11712 3/20 0.53
ALDH1A1 P00352 2/20 0.53
MAPT P10636 2/20 0.53
MEN1 O00255 2/20 0.53
TSHR P16473 2/20 0.53
KMT2A Q03164 2/20 0.53
TRPM8 Q7Z2W7 2/20 0.53
TP53 P04637 1/20 0.53
MAPK1 P28482 1/20 0.53
HSD17B10 Q99714 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
ORAI1 Q96D31 2/20 0.52
CYP19A1 P11511 2/20 0.50
NR1I2 O75469 2/20 0.48
PGR P06401 2/20 0.48
ADORA3 P0DMS8 2/20 0.48

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
SCHEMBL23031247 0.87 IDO1 (0.65) IDO1CYP3A4TDP1CYP1A2CYP2C9
SCHEMBL11258086 0.84 IDO1 (0.59) IDO1CYP3A4TDP1CYP1A2CYP2C9
SCHEMBL9996052 0.83 IDO1 (0.57) IDO1CYP3A4TDP1CYP1A2CYP2C9
SCHEMBL7564052 0.82 IDO1 (0.49) IDO1CYP3A4TDP1CYP1A2CYP2C9
SCHEMBL7570972 0.82 IDO1 (0.49) IDO1CYP3A4TDP1CYP1A2CYP2C9
SCHEMBL11733231 0.81 IDO1 (0.68) IDO1CYP3A4TDP1CYP1A2CYP2C9
SCHEMBL28739427 0.81 IDO1 (0.81) IDO1CYP3A4TDP1CYP1A2CYP2C9
SCHEMBL9238904 0.79 IDO1 (0.72) IDO1CYP3A4TDP1CYP1A2CYP2C9
SCHEMBL11258071 0.79 IDO1 (0.60) IDO1CYP3A4TDP1CYP1A2CYP2C9
SCHEMBL11293903 0.78 IDO1 (0.61) IDO1CYP3A4TDP1CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110319459-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System OSTA BIOTECHNOLOGIES (CA) 2011-12-29 US claimed
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-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-20110319459-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System OSTA BIOTECHNOLOGIES (CA) 2011-12-29 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-20110319459-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System OSTA BIOTECHNOLOGIES (CA) 2011-12-29 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 (2 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 IDO1 1069/4885CYP3A4 2210/4885TDP1 360/4885
US-20140155445-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System HMOX1, HMOX2, CYC1 IDO1 1717/4885CYP3A4 2075/4885TDP1 679/4885

“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.