SCHEMBL5951964

SCHEMBL5951964

CC1Cc2cccc(-c3nc4ccccc4s3)c2C1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.49
MAPT P10636 8/20 0.49
RAB9A P51151 7/20 0.49
ALDH1A1 P00352 6/20 0.49
NPC1 O15118 6/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
GAA P10253 5/20 0.49
TDP1 Q9NUW8 4/20 0.49
L3MBTL1 Q9Y468 4/20 0.49
ACHE P22303 1/20 0.47
POLB P06746 4/20 0.46
TP53 P04637 2/20 0.44
NPSR1 Q6W5P4 1/20 0.43
GLA P06280 3/20 0.41
ILK Q13418 2/20 0.41
HCRTR1 O43613 1/20 0.41
S1PR2 O95136 2/20 0.41
HPGD P15428 2/20 0.41

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
SCHEMBL5952102 0.82 KDM4E (0.51) KDM4EMAPTRAB9AALDH1A1NPC1
SCHEMBL5952035 0.77 ACHE (0.49) KDM4EMAPTRAB9AALDH1A1NPC1
SCHEMBL5952594 0.76 BRD4 (0.50) ACHEAPP
SCHEMBL5951903 0.73 ACHE (0.54) MAPTRAB9AALDH1A1NPC1KMT2A
SCHEMBL5951953 0.73 ACHE (0.46) ACHE
SCHEMBL5951691 0.72 ACHE (0.47) KDM4EMAPTRAB9AALDH1A1NPC1
SCHEMBL5509273 0.72 ACHE (0.61) ACHE
SCHEMBL5951721 0.72 ACHE (0.49) ACHE
SCHEMBL5952923 0.72 BRD4 (0.53) ACHETDP2
SCHEMBL5951252 0.72 ACHE (0.56) KDM4EMAPTALDH1A1SMN1; SMN2MEN1

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 KDM4E 2127/4885MAPT 3693/4885RAB9A 3183/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 KDM4E 2338/4885MAPT 3748/4885RAB9A 3329/4885

“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.