SCHEMBL5951808

SCHEMBL5951808

O=C1c2cccc(Br)c2CC1c1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
MAPT P10636 2/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
KMT2A Q03164 1/20 0.47
PARP10 Q53GL7 1/20 0.41
PARP11 Q9NR21 1/20 0.41
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
PIM1 P11309 1/20 0.40
CSNK1A1 P48729 1/20 0.40
CDK5 Q00535 1/20 0.40
ROCK1 Q13464 1/20 0.40
DYRK1A Q13627 1/20 0.40
LRRK2 Q5S007 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
DYRK1B Q9Y463 1/20 0.40
GSK3B P49841 1/20 0.35
KDM4E B2RXH2 3/20 0.34
HPGD P15428 2/20 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
SCHEMBL1758237 0.77 MAPT (0.54) ALDH1A1MAPTRAB9ANPC1KMT2A
SCHEMBL14939420 0.77 CYP19A1 (0.45) MAPTKMT2APARP10PARP11PIM1
SCHEMBL5952116 0.77 ALDH1A1 (0.41) ALDH1A1MAPTRAB9ANPC1KMT2A
SCHEMBL8555103 0.70 PIM1 (0.46) ALDH1A1NPC1KMT2APARP10PARP11
SCHEMBL9148202 0.69 CYP19A1 (0.61) ALDH1A1MAPTRAB9ANPC1KMT2A
SCHEMBL29980139 0.68 ACHE (0.66) PARP10PARP11PIM1CSNK1A1CDK5
SCHEMBL1453605 0.68 ACHE (0.66) PARP10PARP11PIM1CSNK1A1CDK5
SCHEMBL19764906 0.68 CDK5 (0.44) NPC1KMT2APARP10PARP11PIM1
SCHEMBL5951995 0.68 PIM1 (0.41) KMT2APARP10PARP11PIM1CSNK1A1
SCHEMBL11683527 0.68 CYP19A1 (0.60) ALDH1A1MAPTRAB9ANPC1KMT2A

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 ALDH1A1 317/4885MAPT 3693/4885RAB9A 3183/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 ALDH1A1 198/4885MAPT 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.