SCHEMBL22259437

SCHEMBL22259437

c1ccc(-c2ccc(N(c3ccc4oc5ccccc5c4c3)c3ccccc3-c3ccccc3N(c3ccc(-c4ccccc4)cc3)c3ccc4oc5ccccc5c4c3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.41
▸ HPGD P15428 3/20 0.41
▸ MAPT P10636 3/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ PLA2G2A P14555 5/20 0.39
▸ PLA2G4A P47712 5/20 0.39
▸ AHR P35869 2/20 0.37
▸ HSP90AA1 P07900 1/20 0.37
▸ HSP90AB1 P08238 1/20 0.37
▸ ALOX5 P09917 1/20 0.36
▸ TNKS O95271 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ GABRP O00591 1/20 0.35
▸ GABRD O14764 1/20 0.35
▸ CA12 O43570 1/20 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
SCHEMBL25608187 0.96 NPC1 (0.40) NPC1HPGDMAPTRAB9ASMN1; SMN2
SCHEMBL18212070 0.94 NPC1 (0.41) NPC1HPGDMAPTRAB9ASMN1; SMN2
SCHEMBL18212124 0.93 PLA2G2A (0.42) NPC1HPGDMAPTRAB9ASMN1; SMN2
SCHEMBL24472294 0.92 AHR (0.41) NPC1HPGDMAPTRAB9ASMN1; SMN2
SCHEMBL24472253 0.92 AHR (0.41) NPC1HPGDMAPTRAB9ASMN1; SMN2
SCHEMBL24472512 0.92 AHR (0.41) NPC1HPGDMAPTRAB9ASMN1; SMN2
SCHEMBL25580194 0.91 KDM4E (0.34) NPC1HPGDMAPTRAB9ASMN1; SMN2
SCHEMBL25580274 0.91 KDM4E (0.34) NPC1HPGDMAPTRAB9ASMN1; SMN2
SCHEMBL24472510 0.90 AHR (0.40) NPC1HPGDMAPTRAB9ASMN1; SMN2
SCHEMBL19598814 0.90 PLA2G2A (0.44) NPC1HPGDMAPTRAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200231534-A1 ARYLDIAMINE COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT HODOGAYA CHEMICAL CO., LTD. (JP) 2020-07-23 — — 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-20200231534-A1 ARYLDIAMINE COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT FTO, SLC19A1, ALKBH1 NPC1 1052/4885HPGD 3574/4885MAPT 1146/4885

“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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