SCHEMBL5951728

SCHEMBL5951728

CC1Cc2cccc(-c3ccccc3N)c2C1=O

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 8/20 0.57
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PTPRC P08575 1/20 0.39
ADORA2A P29274 1/20 0.39
TSHR P16473 1/20 0.38
NOS3 P29474 1/20 0.38
NOS2 P35228 1/20 0.38
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
ABCB1 P08183 1/20 0.37
STAT3 P40763 1/20 0.37
DRD1 P21728 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
SCHEMBL5952103 0.83 ACHE (0.59) ACHEMAOAMAOBALDH1A1L3MBTL1
SCHEMBL5951296 0.83 ACHE (0.59) ACHEMAOAMAOBALDH1A1TSHR
SCHEMBL5951689 0.81 ACHE (0.57) ACHEMAOAMAOBTSHRHTR1A
SCHEMBL5509273 0.81 ACHE (0.61) ACHEMAOAMAOBTSHRHTR1A
SCHEMBL5952120 0.80 ACHE (0.51) ACHEMAOAMAOBTSHRNOS3
SCHEMBL5951252 0.80 ACHE (0.56) ACHEMAOAMAOBALDH1A1TSHR
SCHEMBL5953152 0.79 ACHE (0.59) ACHEHTR1ADRD2ABCB1
SCHEMBL5951679 0.79 ACHE (0.54) ACHEMAOAMAOBTSHRDRD2
SCHEMBL5951482 0.78 ACHE (0.53) ACHEMAOAMAOBALDH1A1TSHR
SCHEMBL5952527 0.78 ACHE (0.57) ACHEMAOAMAOBTSHRHTR1A

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
US-7038070-B2 Preparation of preparing substituted indanones BASELL POLYOLEFINE GMBH (DE) 2006-05-02 US disclosed
US-6963017-B2 Preparation of preparing substituted indanones BASELL POLYOLEFINE GMBH (DE) 2005-11-08 US disclosed
EP-0968158-B1 METHOD OF PREPARING SUBSTITUTED INDANONES, THE SUBSTITUTED INDANONES AND METALLOCENES PREPARED THEREFROM BASELL POLYOLEFINE GMBH (DE) 2005-08-10 EP disclosed
US-20050033076-A1 Preparation of preparing substituted indanones EQUISTAR CHEMICALS, LP 2005-02-10 US disclosed
US-20030009046-A1 Preparation of preparing substituted indanones EQUISTAR CHEMICALS, LP 2003-01-09 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-20050033076-A1 Preparation of preparing substituted indanones CYP1A2, CYP2J2, IDH3A ACHE 839/4885MAOA 498/4885MAOB 334/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 ACHE 820/4885MAOA 564/4885MAOB 403/4885

“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.