SCHEMBL4135918

SCHEMBL4135918

O=C1Cn2c(cc3ccccc32)-c2ccccc2N1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 11/20 0.46
BRD4 O60885 9/20 0.46
HTR1A P08908 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRB2 P47870 1/20 0.36
CCNB2 O95067 1/20 0.36
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36
GSK3B P49841 1/20 0.36
CCNB3 Q8WWL7 1/20 0.36
LRRK2 Q5S007 1/20 0.35
EPHX2 P34913 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35

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
SCHEMBL9851805 0.85 CNR1 (0.44) CREBBPBRD4GABRA1GABRG2GABRB3
SCHEMBL9851803 0.82 CREBBP (0.39) CREBBPBRD4HTR1ACCNB2CDK1
SCHEMBL20777927 0.81 PIM1 (0.39) CREBBPBRD4HTR1AL3MBTL1MAOB
SCHEMBL10761116 0.73 BRD4 (0.44) CREBBPBRD4
SCHEMBL3690376 0.70 CREBBP (0.32) CREBBPBRD4HTR1AMAOAMAOB
SCHEMBL6697572 0.69 NOTUM (0.40) HTR1AL3MBTL1
SCHEMBL9851810 0.69 CHRM1 (0.44)
SCHEMBL9851860 0.69 CDK1 (0.44) CREBBPBRD4CCNB2CDK1CCNB1
SCHEMBL9851857 0.69 GSK3B (0.40) CREBBPCCNB2CDK1CCNB1GSK3B
SCHEMBL17073536 0.68 AKT1 (0.44) CREBBPBRD4LRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090136449-A1 Tetracyclic Indole Derivatives as Antiviral Agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2009-05-28 US disclosed
EP-0406719-A1 4h-indolo(1,2-d)(1,2,4)triazolo (4,3-a)(1,4)benzodiazepines, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1991-01-09 EP disclosed
US-4914201-A CHEMICAL INTERMEDIATES FOR ANALGESICS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1990-04-03 US disclosed
US-4897392-A ANALGESICS HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1990-01-30 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-20090136449-A1 Tetracyclic Indole Derivatives as Antiviral Agents IDO1, IDO2, ZC3HAV1 CREBBP 2995/4885BRD4 468/4885HTR1A 107/4885

“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.