SCHEMBL822768

SCHEMBL822768

Cn1cc2ccc3cnccc3c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
IMPDH2 P12268 4/20 0.42
KDM4E B2RXH2 2/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPKAPK2 P49137 1/20 0.40
DYRK1A Q13627 4/20 0.39
GSK3B P49841 2/20 0.39
NFATC1 O95644 1/20 0.39
ERN1 O75460 1/20 0.39
HASPIN Q8TF76 1/20 0.38
HTT P42858 2/20 0.37
CDK4 P11802 1/20 0.37
CCND1 P24385 1/20 0.37

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
SCHEMBL445595 0.78 IMPDH2 (0.58) HTR2AHTR2CHTR2BIMPDH2KDM4E
SCHEMBL256355 0.77 HASPIN (0.43) KDM4ELMNACYP1A2CYP3A4CYP2D6
Bromide SCHEMBL27922950 0.76 IMPDH2 (0.56) HTR2AHTR2CHTR2BIMPDH2KDM4E
SCHEMBL822770 0.71 ALDH1A1 (0.55) CYP1A2CYP3A4ALDH1A1MAPK1MAPT
SCHEMBL29568879 0.70 IMPDH2 (0.50) IMPDH2KDM4ELMNACYP1A2CYP3A4
SCHEMBL1419181 0.70 IMPDH2 (0.50) IMPDH2KDM4ELMNACYP1A2CYP3A4
SCHEMBL2313911 0.70 IMPDH2 (0.50) HTR2AHTR2CHTR2BIMPDH2KDM4E
SCHEMBL12532558 0.70 IMPDH2 (0.50) HTR2AHTR2CHTR2BIMPDH2KDM4E
SCHEMBL3693486 0.69 CYP3A4 (0.57) IMPDH2KDM4ELMNACYP1A2CYP3A4
SCHEMBL18099790 0.69 IMPDH2 (0.48) HTR2AHTR2CHTR2BIMPDH2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9067919-B2 Use of dibenzofurans and dibenzothiophenes substituted by nitrogen-bonded five-membered heterocyclic rings in organic electronics BASF SE (DE) 2015-06-30 US disclosed
US-20120007063-A1 USE OF DIBENZOFURANS AND DIBENZOTHIOPHENES SUBSTITUTED BY NITROGEN-BONDED FIVE-MEMBERED HETEROCYCLIC RINGS IN ORGANIC ELECTRONICS BASF SE (DE) 2012-01-12 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 (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-20120007063-A1 USE OF DIBENZOFURANS AND DIBENZOTHIOPHENES SUBSTITUTED BY NITROGEN-BONDED FIVE-MEMBERED HETEROCYCLIC RINGS IN ORGANIC ELECTRONICS DDT, DBF4, POU5F1 HTR2A 2253/4885HTR2C 938/4885HTR2B 654/4885

“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.