Sugi Predict

Sugi Predict / Compounds / SCHEMBL12430602

SCHEMBL12430602

SCHEMBL12430602

c1ccc(CCNC2c3ccccc3-c3c(-c4nc5cnccc5[nH]4)cccc32)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AB1 P08238 5/20 0.52
▸ F3 P13726 1/20 0.37
▸ ROCK2 O75116 1/20 0.37
▸ ROCK1 Q13464 1/20 0.37
▸ ADRB1 P08588 1/20 0.37
▸ ADRB3 P13945 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ PDE5A O76074 3/20 0.35
▸ KCNH3 Q9ULD8 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ KDM6B O15054 1/20 0.33
▸ KDM4C Q9H3R0 1/20 0.33
▸ METAP2 P50579 1/20 0.33
▸ ITGB3 P05106 1/20 0.33
▸ ITGAV P06756 1/20 0.33

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
SCHEMBL21477061 0.82 HSP90AB1 (0.58) HSP90AB1SMN1; SMN2PDE5AKDM4ERAB9A
SCHEMBL12431588 0.79 HSP90AB1 (0.57) HSP90AB1SMN1; SMN2PDE5AKDM4ERAB9A
SCHEMBL12430419 0.79 HSP90AB1 (0.47) HSP90AB1ADRB1ADRB3SMN1; SMN2PDE5A
SCHEMBL13437146 0.79 HSP90AB1 (0.47) HSP90AB1SMN1; SMN2PDE5AKDM4ERAB9A
SCHEMBL27263584 0.78 HSP90AB1 (0.53) HSP90AB1SMN1; SMN2PDE5AKDM4ERAB9A
SCHEMBL13437147 0.78 HSP90AB1 (0.63) HSP90AB1F3ADRB1ADRB3SMN1; SMN2
SCHEMBL12430895 0.78 HSP90AB1 (0.57) HSP90AB1SMN1; SMN2KDM4ERAB9ANPC1
SCHEMBL13437139 0.76 HSP90AB1 (0.50) HSP90AB1SMN1; SMN2PDE5AKDM4ERAB9A
SCHEMBL2315006 0.76 HSP90AB1 (0.50) HSP90AB1SMN1; SMN2PDE5AKDM4ERAB9A
SCHEMBL2312667 0.76 HSP90AB1 (0.50) HSP90AB1SMN1; SMN2PDE5AKDM4ERAB9A

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 2/4885F3 2969/4885ROCK2 708/4885

“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.