Sugi Predict

Sugi Predict / Compounds / SCHEMBL12430419

SCHEMBL12430419

SCHEMBL12430419

c1ccc2c(c1)-c1c(-c3nc4cnccc4[nH]3)cccc1C2NCc1ccc2cc[nH]c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AB1 P08238 5/20 0.47
▸ CCNT1 O60563 1/20 0.34
▸ CDK9 P50750 1/20 0.34
▸ PDE5A O76074 4/20 0.33
▸ KDM1A O60341 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ NLRP3 Q96P20 1/20 0.32
▸ BACE1 P56817 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ ATM Q13315 1/20 0.31

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
SCHEMBL13437146 0.93 HSP90AB1 (0.47) HSP90AB1PDE5AKDM1AMAOAMAOB
SCHEMBL12430602 0.79 HSP90AB1 (0.52) HSP90AB1PDE5ASMN1; SMN2KDM4ENPC1
SCHEMBL12430895 0.77 HSP90AB1 (0.57) HSP90AB1SMN1; SMN2KDM4ENPC1ALDH1A1
SCHEMBL21477061 0.77 HSP90AB1 (0.58) HSP90AB1PDE5ASMN1; SMN2KDM4ENPC1
SCHEMBL12431588 0.74 HSP90AB1 (0.57) HSP90AB1PDE5ASMN1; SMN2KDM4ENPC1
SCHEMBL13437165 0.74 HSP90AB1 (0.76) HSP90AB1PDE5ASMN1; SMN2BACE1
SCHEMBL13437172 0.74 HSP90AB1 (0.74) HSP90AB1SMN1; SMN2KDM4ENPC1ALDH1A1
SCHEMBL27263584 0.73 HSP90AB1 (0.53) HSP90AB1PDE5ASMN1; SMN2KDM4ENPC1
SCHEMBL13437147 0.73 HSP90AB1 (0.63) HSP90AB1SMN1; SMN2KDM4ENPC1ALDH1A1
SCHEMBL12430603 0.72 HSP90AB1 (0.58) HSP90AB1SMN1; SMN2KDM4ENPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1888579-B1 NOVEL FLUORENE DERIVATIVES, COMPOSITION CONTAINING SAID DERIVATIVES AND THE USE THEREOF AVENTIS PHARMA SA (FR) 2011-08-03 — — EP disclosed
US-7674795-B2 Fluorene derivatives, composition containing said derivatives and the use thereof AVENTIS PHARMA SA (FR) 2010-03-09 — — US disclosed
US-7674795-B2 Fluorene derivatives, composition containing said derivatives and the use thereof AVENTIS PHARMA SA (FR) 2010-03-09 — — US disclosed
US-20080153837-A1 Novel Fluorene Derivatives, Composition Containing Said Derivatives and the Use Thereof AVENTIS PHARMA S.A. (FR) 2008-06-26 — — US disclosed
US-20080153837-A1 Novel Fluorene Derivatives, Composition Containing Said Derivatives and the Use Thereof AVENTIS PHARMA S.A. (FR) 2008-06-26 — — 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-20080153837-A1 Novel Fluorene Derivatives, Composition Containing Said Derivatives and the Use Thereof HSP90B1, HSP90AB1, HSP90AA1 HSP90AB1 2/4885CCNT1 4170/4885CDK9 2623/4885

“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.