SCHEMBL272832

SCHEMBL272832

Nc1cccc(N)c1C1=C2C=CC(=N2)C(c2ccccc2)=C2C=CC(=N2)C(c2ccccc2)=C2C=CC(=N2)C(c2ccccc2)=C2C=CC1=N2

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ GAA P10253 1/20 0.32
▸ LMNA P02545 1/20 0.31
▸ GLA P06280 1/20 0.31
▸ ASIC3 Q9UHC3 1/20 0.31
▸ MECP2 P51608 1/20 0.30
▸ NOTUM Q6P988 1/20 0.30
▸ PTPRC P08575 1/20 0.30
▸ ADORA2A P29274 1/20 0.30

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
SCHEMBL8349665 0.83 ALDH1A1 (0.47) ALDH1A1HSD17B10NPC1RAB9AKDM4E
SCHEMBL28121946 0.83 ALDH1A1 (0.47) ALDH1A1HSD17B10NPC1RAB9AKDM4E
SCHEMBL14562749 0.82 ALDH1A1 (0.35) ALDH1A1NPC1RAB9AKDM4EHPGD
SCHEMBL28807262 0.82 ALDH1A1 (0.35) ALDH1A1NPC1RAB9AKDM4EHPGD
SCHEMBL27979361 0.82 ALDH1A1 (0.35) ALDH1A1NPC1RAB9AKDM4EHPGD
SCHEMBL28180007 0.82 ALDH1A1 (0.35) ALDH1A1NPC1RAB9AKDM4EHPGD
SCHEMBL7996476 0.82 ALDH1A1 (0.35) ALDH1A1NPC1RAB9AKDM4EHPGD
SCHEMBL2517442 0.82 ALDH1A1 (0.35) ALDH1A1NPC1RAB9AKDM4EHPGD
SCHEMBL28121300 0.81 CYP3A4 (0.50) ALDH1A1HSD17B10NPC1RAB9AKDM4E
SCHEMBL28121369 0.81 CYP3A4 (0.50) ALDH1A1HSD17B10NPC1RAB9AKDM4E

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-8133474-B2 Porphyrin chelate compound that may be complexed with zinc, manganese, magnesium, iron or aluminum; capable of insertion into cell; zinc, calcium, mercury, cadmium, and lead analytes; determining shift in signal; medical diagnosis MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-03-13 — — US disclosed
US-20080138292-A1 Sensors for fluorescence and magnetic resonance imaging MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2008-06-12 — — 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-20080138292-A1 Sensors for fluorescence and magnetic resonance imaging CA2, SLC30A6, SLC39A3 ALDH1A1 3462/4885HSD17B10 4304/4885NPC1 383/4885

“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.

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