SCHEMBL1224262

SCHEMBL1224262

c1ccc2[nH]c(-c3nc4c(-c5nc6ccccc6[nH]5)c(-c5nc6ccccc6[nH]5)ccc4[nH]3)nc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.61
RAB9A P51151 8/20 0.61
NPC1 O15118 8/20 0.61
KDM4E B2RXH2 8/20 0.61
HSD17B10 Q99714 5/20 0.61
NPSR1 Q6W5P4 4/20 0.61
SMN1; SMN2 Q16637 4/20 0.61
PKM P14618 2/20 0.61
ABCB11 O95342 1/20 0.61
TP53 P04637 1/20 0.61
HPGD P15428 6/20 0.53
GAA P10253 2/20 0.53
MAPT P10636 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
GPR55 Q9Y2T6 1/20 0.53
GLA P06280 1/20 0.53
HTT P42858 1/20 0.53
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL5134195 0.89 NPC1 (0.58) ALDH1A1RAB9ANPC1KDM4EHSD17B10
SCHEMBL251370 0.81 NPC1 (0.68) ALDH1A1RAB9ANPC1KDM4EHSD17B10
SCHEMBL297468 0.81 RAB9A (0.67) ALDH1A1RAB9ANPC1KDM4EHSD17B10
SCHEMBL172216 0.78 NPC1 (1.00) ALDH1A1RAB9ANPC1KDM4EHSD17B10
SCHEMBL30561047 0.78 NPC1 (1.00) ALDH1A1RAB9ANPC1KDM4EHSD17B10
SCHEMBL30634854 0.78 NPC1 (1.00) ALDH1A1RAB9ANPC1KDM4EHSD17B10
SCHEMBL227743 0.77 NPC1 (0.78) ALDH1A1RAB9ANPC1KDM4EHSD17B10
Water SCHEMBL9817804 0.76 NPC1 (0.95) ALDH1A1RAB9ANPC1KDM4EHSD17B10
SCHEMBL5056429 0.76 RAB9A (0.64) ALDH1A1RAB9ANPC1KDM4EHSD17B10
SCHEMBL5058135 0.76 F7 (0.60) ALDH1A1RAB9ANPC1KDM4EHSD17B10

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-20110028730-A1 CYCLIC COMPOUNDS AND THE USE THEREOF AS LIGHT ABSORBERS, LIGHT EMITTERS, OR COMPLEX LIGANDS BASF AKTIENGESELLSCHAFT (DE) 2011-02-03 US disclosed
EP-1495025-B1 CYCLIC COMPOUNDS AND THE USE THEREOF AS LIGHT ABSORBERS OR LIGHT EMITTERS BASF AG (DE) 2006-12-20 EP disclosed
US-20050167637-A1 Cyclic compounds and the use thereof as light absorbers, light emitters, or complex ligands BASF AKTIENGESELLSCHAFT (DE) 2005-08-04 US disclosed
EP-1495025-A1 CYCLIC COMPOUNDS AND THE USE THEREOF AS LIGHT ABSORBERS, LIGHT EMITTERS, OR COMPLEX LIGANDS BASF AKTIENGESELLSCHAFT (DE) 2005-01-12 EP disclosed
WO-2003084960-A1 CYCLIC COMPOUNDS AND THE USE THEREOF AS LIGHT ABSORBERS, LIGHT EMITTERS, OR COMPLEX LIGANDS BASF AKTIENGESELLSCHAFT (DE) 2003-10-16 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 (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-20110028730-A1 CYCLIC COMPOUNDS AND THE USE THEREOF AS LIGHT ABSORBERS, LIGHT EMITTERS, OR COMPLEX LIGANDS NR2E3, SRD5A1, NR4A1 ALDH1A1 4062/4885RAB9A 4229/4885NPC1 343/4885

“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.