SCHEMBL449634

SCHEMBL449634

COc1ccc(C(=O)NCc2nc3ccccc3c(=O)n2-c2ccc(OC)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.64
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
CYP1A2 P05177 1/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2D6 P10635 1/20 0.64
CYP2C9 P11712 1/20 0.64
CYP2C19 P33261 1/20 0.64
HTR7 P34969 5/20 0.64
PDE10A Q9Y233 6/20 0.64
GAA P10253 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.59
UBE2N P61088 1/20 0.56
ADORA3 P0DMS8 1/20 0.55

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
SCHEMBL451191 0.98 ALDH1A1 (0.64) ALDH1A1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL1552965 0.97 PDE10A (0.62) ALDH1A1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL449655 0.96 POLB (0.61) ALDH1A1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL447996 0.95 HTR7 (0.59) ALDH1A1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL452387 0.94 HTR7 (0.59) ALDH1A1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL450020 0.91 HTR7 (0.61) ALDH1A1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL449587 0.87 SMN1; SMN2 (0.60) ALDH1A1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL453594 0.84 ALDH1A1 (0.76) ALDH1A1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL452084 0.84 PDE10A (0.60) ALDH1A1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL31542069 0.84 ALDH1A1 (0.75) ALDH1A1MEN1KMT2ACYP1A2CYP3A4

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-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors X-CEPTOR THERAPEUTICS, INC. (US) 2008-03-20 US claimed
US-8748440-B2 Quinazolinone modulators of nuclear receptors EXELIXIS, INC. (US) 2014-06-10 US disclosed
US-20120064025-A1 Quinazolinone Modulators Of Nuclear Receptors EXELIXIS, INC. (US) 2012-03-15 US disclosed
EP-1521746-B1 QUINAZOLINONE MODULATORS OF NUCLEAR RECEPTORS X CEPTOR THERAPEUTICS INC (US) 2011-04-27 EP disclosed
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors X-CEPTOR THERAPEUTICS, INC. (US) 2008-03-20 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-20120064025-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 ALDH1A1 3161/4885MEN1 4424/4885KMT2A 3861/4885
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 ALDH1A1 3161/4885MEN1 4424/4885KMT2A 3861/4885

“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.