SCHEMBL16080792

SCHEMBL16080792

Cc1cccc(OCc2cccnc2N2CCCCC2)c1C=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C8 P10632 1/20 0.42
ALDH1A1 P00352 5/20 0.42
HTT P42858 2/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.37
CDK4 P11802 1/20 0.37
CCND1 P24385 1/20 0.37
HSD11B1 P28845 1/20 0.37
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
BRD4 O60885 1/20 0.36

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
SCHEMBL16080786 0.99 CYP1A2 (0.42) CYP1A2CYP2C9CYP2C19CYP3A4CYP2C8
SCHEMBL17486662 0.91 ELANE (0.39) CYP1A2CYP2C9CYP2C19CYP3A4CYP2C8
SCHEMBL17486659 0.90 ELANE (0.41) CYP1A2CYP2C9CYP2C19CYP3A4CYP2C8
SCHEMBL16080788 0.89 CYP1A2 (0.43) CYP1A2CYP2C9CYP2C19CYP3A4CYP2C8
SCHEMBL16080787 0.87 CYP2C19 (0.53) CYP1A2CYP2C9CYP2C19CYP3A4CYP2C8
SCHEMBL22905461 0.85 CYP2C19 (0.54) CYP1A2CYP2C9CYP2C19CYP3A4CYP2C8
SCHEMBL16080790 0.84 CYP1A2 (0.39) CYP1A2CYP2C9CYP2C19CYP3A4CYP2C8
SCHEMBL21119723 0.80 CYP1A2 (0.42) CYP1A2CYP2C9CYP2C19CYP3A4CYP2C8
SCHEMBL16100684 0.79 CYP1A2 (0.51) CYP1A2CYP2C9CYP2C19CYP3A4CYP2C8
SCHEMBL29512280 0.79 CYP1A2 (0.51) CYP1A2CYP2C9CYP2C19CYP3A4CYP2C8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9604999-B2 Compounds and uses thereof for the modulation of hemoglobin GLOBAL BLOOD THERAPEUTICS, INC. (US) 2017-03-28 US disclosed
US-20160031904-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS, INC. (US) 2016-02-04 US disclosed
US-20140275181-A1 Compounds and uses thereof for the modulation of hemoglobin GLOBAL BLOOD THERAPEUTICS, INC. 2014-09-18 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-20140275181-A1 Compounds and uses thereof for the modulation of hemoglobin HBG2, HBG1, HBB CYP1A2 760/4885CYP2C9 575/4885CYP2C19 493/4885
US-20160031904-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN HBG2, HBG1, HBB CYP1A2 760/4885CYP2C9 575/4885CYP2C19 493/4885

“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.