SCHEMBL1945801

SCHEMBL1945801

O=C(c1cc(=O)c2cc(Cl)ccc2o1)N1CCOCC1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.60
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
KDM4E B2RXH2 2/20 0.56
GAA P10253 1/20 0.56
TSHR P16473 1/20 0.56
RAB9A P51151 3/20 0.54
NPC1 O15118 2/20 0.54
PRKDC P78527 1/20 0.54
LMNA P02545 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
HTT P42858 1/20 0.53
HRH4 Q9H3N8 1/20 0.52
MAOB P27338 1/20 0.52
PHGDH O43175 1/20 0.50
POLB P06746 1/20 0.46
AKR1C3 P42330 1/20 0.46

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
SCHEMBL1946681 0.85 RAB9A (0.70) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL27937992 0.83 POLB (0.65) ALDH1A1MEN1KMT2AKDM4ERAB9A
SCHEMBL1504213 0.76 ALDH1A1 (1.00) ALDH1A1KDM4ETSHRMAOB
SCHEMBL5191884 0.76 ALDH1A1 (0.77) ALDH1A1KDM4ETSHRRAB9ANPC1
SCHEMBL7320703 0.76 PRKDC (0.68) PRKDC
SCHEMBL1943579 0.74 RAB9A (0.69) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL1944044 0.73 RAB9A (0.70) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL5584787 0.72 RAB9A (0.53) ALDH1A1MEN1KMT2AKDM4ERAB9A
SCHEMBL6956271 0.72 ALDH1A1 (0.69) ALDH1A1KDM4ETSHRRAB9ANPC1
SCHEMBL20886734 0.72 KMT2A (0.50) ALDH1A1MEN1KMT2AKDM4ERAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304416-B2 Chromenone derivatives MERCK PATENT GMBH (DE) 2012-11-06 US disclosed
US-20110136830-A1 CHROMENONE DERIVATIVES MUJICA-FERNAUD TERESA 2011-06-09 US disclosed
US-20080146589-A1 Tyrosine kinase inhibitors; antitumor agents; food supplements; for treating non-hyperproliferative diseases; signal transduction; oxidative stress; neurodegenerative diseases MUJICA-FERNAUD TERESA 2008-06-19 US disclosed
US-7378421-B2 Chromenone derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2008-05-27 US disclosed
EP-1473293-B1 Chromenon derivatives MERCK PATENT GMBH (DE) 2008-03-19 EP disclosed
US-20040220182-A1 Chromenone derivatives MERCK PATENT GMBH (DE) 2004-11-04 US disclosed
EP-1473293-A1 Chromenon derivatives MERCK PATENT GmbH (DE) 2004-11-03 EP 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 (3 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-20040220182-A1 Chromenone derivatives RAF1, BRAF, ARAF ALDH1A1 2147/4885MEN1 3281/4885KMT2A 4108/4885
US-20080146589-A1 Tyrosine kinase inhibitors; antitumor agents; food supplements; for treating non-hyperproliferative diseases; signal transduction; oxidative stress; neurodegenerative diseases RET, BRAF, RAF1 ALDH1A1 3352/4885MEN1 2243/4885KMT2A 3098/4885
US-20110136830-A1 CHROMENONE DERIVATIVES RAF1, BRAF, ARAF ALDH1A1 2511/4885MEN1 2522/4885KMT2A 4047/4885

“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.