SCHEMBL925505

SCHEMBL925505

[C-]#[N+]Cc1ccc(C)c(Br)c1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.35
ALDH1A1 P00352 3/20 0.34
ALKBH5 Q6P6C2 1/20 0.33
DHFR P00374 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
S1PR1 P21453 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL1937100 0.84 ALDH1A1 (0.33) ALDH1A1ALKBH5DHFRMEN1KMT2A
SCHEMBL925819 0.77 GABRA1 (0.33)
SCHEMBL17704659 0.76 ESR1 (0.48) HPGDALDH1A1MEN1KMT2AKDM4E
SCHEMBL318499 0.76 KDM4E (0.44) ALDH1A1KDM4ETSHR
SCHEMBL29953131 0.76 KDM4E (0.44) ALDH1A1KDM4ETSHR
SCHEMBL29955728 0.76 CYP3A4 (0.42) HPGDALDH1A1DHFRKDM4EGAA
SCHEMBL8257731 0.76 DAO (0.41) ALDH1A1DHFRKMT2A
SCHEMBL1774615 0.74 HPGD (0.39) HPGDALDH1A1MEN1KMT2AKDM4E
SCHEMBL10257025 0.74 HPGD (0.43) HPGDALDH1A1MEN1KMT2AMAPT
SCHEMBL29783216 0.74 HPGD (0.39) HPGDALDH1A1MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11667630-B2 Nitrogen-containing 6-membered cyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2023-06-06 US disclosed
US-9055749-B2 Insecticidal arylpyrrolines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-06-16 US disclosed
EP-2432762-B1 INSECTICIDAL ARYLPYRROLINES BAYER CROPSCIENCE AG (DE) 2015-02-25 EP disclosed
EP-2242739-B1 INSECTICIDAL ARYLPYRROLINES BAYER CROPSCIENCE AG (DE) 2014-11-12 EP disclosed
US-20140024680-A1 Insecticidal Arylpyrrolines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-01-23 US disclosed
US-8410141-B2 Insecticidal arylpyrrolines BAYER CROPSCIENCE AG (DE) 2013-04-02 US disclosed
US-8304371-B2 Insecticidal arylpyrrolines BAYER CROPSCIENCE AG (DE) 2012-11-06 US disclosed
US-20120108635-A1 Insecticidal Arylpyrrolines BAYER CROPSCIENCE AG (DE) 2012-05-03 US disclosed
US-20110003690-A1 INSECTICIDAL ARYLPYRROLINES BAY CROPSCIENCE AG (DE) 2011-01-06 US disclosed
EP-2242739-A1 INSECTICIDAL ARYLPYRROLINES Bayer CropScience AG (DE) 2010-10-27 EP disclosed
WO-2009097992-A1 INSECTICIDAL ARYLPYRROLINES BAYER CROPSCIENCE AG (DE) 2009-08-13 WO 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 (4 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-20110003690-A1 INSECTICIDAL ARYLPYRROLINES DDT, ACHE, CYP1A2 HPGD 1549/4885ALDH1A1 127/4885ALKBH5 1947/4885
US-20140024680-A1 Insecticidal Arylpyrrolines DDT, ACHE, CYP1A2 HPGD 1606/4885ALDH1A1 121/4885ALKBH5 1928/4885
US-11667630-B2 Nitrogen-containing 6-membered cyclic compound PTGER4, EPB41, BMP4 HPGD 584/4885ALDH1A1 3705/4885ALKBH5 3213/4885
US-20120108635-A1 Insecticidal Arylpyrrolines DDT, ACHE, CYP1A2 HPGD 1606/4885ALDH1A1 121/4885ALKBH5 1928/4885

“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.