SCHEMBL14770644

SCHEMBL14770644

c1ccc2c(c1)oc1c(-c3ccnc(-c4cc(-c5ccc6oc7ccc(-n8c9ccccc9c9ccccc98)cc7c6c5)ccn4)c3)cccc12

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.44
PRKDC P78527 12/20 0.40
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
GGPS1 O95749 1/20 0.35
PTPRF P10586 3/20 0.35
PTPN2 P17706 3/20 0.35
PTPN1 P18031 3/20 0.35

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
SCHEMBL14770641 0.91 NPC1 (0.39) PRKDCNPC1MAPTPTPRFPTPN2
SCHEMBL21946606 0.89 ALOX5 (0.53) ALOX5PRKDCPRMT5WDR77NPC1
SCHEMBL22107631 0.89 ALOX5 (0.53) ALOX5PRKDCPRMT5WDR77NPC1
SCHEMBL16573892 0.88 ALOX5 (0.50) ALOX5PRKDCPRMT5WDR77NPC1
SCHEMBL20715118 0.87 ALOX5 (0.51) ALOX5PRKDCPRMT5WDR77NPC1
SCHEMBL17248353 0.87 ALOX5 (0.51) ALOX5PRKDCPRMT5WDR77NPC1
SCHEMBL17885403 0.86 ALOX5 (0.48) ALOX5PRKDCPRMT5WDR77NPC1
SCHEMBL23433175 0.86 ALOX5 (0.50) ALOX5PRKDCPRMT5WDR77NPC1
SCHEMBL14770639 0.86 KDM4E (0.34) PRKDCNPC1MAPTPTPRFPTPN2
SCHEMBL23433448 0.86 ALOX5 (0.52) ALOX5PRKDCPRMT5WDR77NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9604972-B2 Nitrogen-containing heteroaromatic ring compound IDEMITSU KOSAN CO., LTD. (JP) 2017-03-28 US disclosed
US-9604972-B2 Nitrogen-containing heteroaromatic ring compound IDEMITSU KOSAN CO., LTD. (JP) 2017-03-28 US disclosed
US-20130062597-A1 NITROGEN-CONTAINING HETEROAROMATIC RING COMPOUND IDEMITSU KOSAN CO., LTD. (JP) 2013-03-14 US disclosed
US-20130062597-A1 NITROGEN-CONTAINING HETEROAROMATIC RING COMPOUND IDEMITSU KOSAN CO., LTD. (JP) 2013-03-14 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-20130062597-A1 NITROGEN-CONTAINING HETEROAROMATIC RING COMPOUND TDO2, AHR, NOC2L ALOX5 1836/4885PRKDC 3941/4885PRMT5 141/4885

“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.