SCHEMBL15028056

SCHEMBL15028056

COC(=O)c1cc(Oc2ccccc2)ccc1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.53
XDH P47989 1/20 0.52
TDP1 Q9NUW8 2/20 0.50
HPGD P15428 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
LMNA P02545 1/20 0.48
CYP2C9 P11712 2/20 0.47
CYP1A2 P05177 1/20 0.47
MAPK1 P28482 1/20 0.46
GFER P55789 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
PGR P06401 1/20 0.46
POLB P06746 2/20 0.45
AKR1C3 P42330 1/20 0.45
SRD5A2 P31213 1/20 0.45
KDM4E B2RXH2 2/20 0.44
NPC1 O15118 1/20 0.44
CRHBP P24387 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL14907284 0.92 KDM4E (0.49) NR1H4XDHTDP1HPGDLMNA
SCHEMBL19041838 0.87 XDH (0.52) NR1H4XDHTDP1HPGDSMN1; SMN2
SCHEMBL7765911 0.87 XDH (0.55) XDHTDP1HPGDSMN1; SMN2LMNA
SCHEMBL2427949 0.86 HPGD (0.51) TDP1HPGDSMN1; SMN2LMNACYP2C9
SCHEMBL13714246 0.85 NR1H4 (0.65) NR1H4TDP1CYP2C9CYP1A2MAPK1
SCHEMBL8844738 0.84 CA12 (0.57) XDHTDP1HPGDSMN1; SMN2LMNA
SCHEMBL22441920 0.84 POLB (0.60) NR1H4XDHTDP1HPGDSMN1; SMN2
SCHEMBL22441922 0.84 POLB (0.60) NR1H4XDHTDP1HPGDSMN1; SMN2
SCHEMBL23052920 0.83 NR1H4 (0.56) NR1H4TDP1HPGDSMN1; SMN2LMNA
SCHEMBL20439234 0.83 NR1H4 (0.56) NR1H4TDP1HPGDSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8664388-B2 Substituted amino-quinazolinones, medicaments comprising said compound, their use and their method of manufacture BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-03-04 US disclosed
US-20130150387-A1 SUBSTITUTED AMINO-QUINAZOLINONES, MEDICAMENTS COMPRISING SAID COMPOUND, THEIR USE AND THEIR METHOD OF MANUFACTURE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-13 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 (1 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-20130150387-A1 SUBSTITUTED AMINO-QUINAZOLINONES, MEDICAMENTS COMPRISING SAID COMPOUND, THEIR USE AND THEIR METHOD OF MANUFACTURE PSEN1, PSEN2, ACHE NR1H4 691/4885XDH 103/4885TDP1 1816/4885

“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.