SCHEMBL23873951

SCHEMBL23873951

c1ccc2[nH]c(-c3ccc(-n4c(-c5ccc(-c6nc7ccccc7n6-c6ccc(-c7nc8ccccc8[nH]7)cc6)cc5)nc5ccccc54)cc3)nc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.56
▸ ESR2 Q92731 1/20 0.56
▸ NPC1 O15118 8/20 0.55
▸ RAB9A P51151 8/20 0.55
▸ GAA P10253 1/20 0.55
▸ GRIA1 P42261 1/20 0.54
▸ CACNG8 Q8WXS5 1/20 0.54
▸ CACNG2 Q9Y698 1/20 0.54
▸ KDM4E B2RXH2 7/20 0.54
▸ SMN1; SMN2 Q16637 6/20 0.54
▸ ALDH1A1 P00352 6/20 0.54
▸ TP53 P04637 2/20 0.54
▸ HSD17B10 Q99714 2/20 0.54
▸ POLB P06746 2/20 0.54
▸ HPGD P15428 2/20 0.54
▸ MAPT P10636 2/20 0.54
▸ GFER P55789 1/20 0.54
▸ PKN1 Q16512 1/20 0.51
▸ PKN2 Q16513 1/20 0.51
▸ PKM P14618 4/20 0.50

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
SCHEMBL14128961 0.86 NPC1 (0.53) ESR1ESR2NPC1RAB9AGAA
SCHEMBL27154670 0.84 SCD (0.56) ESR1ESR2NPC1RAB9AGRIA1
SCHEMBL16000720 0.82 ESR1 (0.40) ESR1ESR2NPC1RAB9AGAA
SCHEMBL16000697 0.80 ESR1 (0.43) ESR1ESR2NPC1RAB9AGAA
SCHEMBL27154645 0.80 NPC1 (0.55) ESR1ESR2NPC1RAB9AGAA
SCHEMBL18230901 0.80 ESR1 (0.45) ESR1ESR2NPC1RAB9AGAA
SCHEMBL23874010 0.79 ESR1 (0.46) ESR1ESR2NPC1RAB9AGAA
SCHEMBL804992 0.78 ESR2 (0.73) ESR1ESR2NPC1RAB9AGAA
SCHEMBL2178266 0.78 NPC1 (0.88) NPC1RAB9AGAAKDM4ESMN1; SMN2
SCHEMBL29386825 0.78 NPC1 (0.88) NPC1RAB9AGAAKDM4ESMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11912825-B2 Polymers derived from 2,2′-bisimidazoles THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2024-02-27 — — US disclosed
US-20210301085-A1 POLYMERS DERIVED FROM 2,2'-BISIMIDAZOLES UNITED STATES DEPARTMENT OF ENERGY 2021-09-30 — — 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 (2 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-20210301085-A1 POLYMERS DERIVED FROM 2,2'-BISIMIDAZOLES PARG, PARN, NOP2 ESR1 2764/4885ESR2 2825/4885NPC1 4196/4885
US-11912825-B2 Polymers derived from 2,2′-bisimidazoles PARG, PARN, NOP2 ESR1 2792/4885ESR2 2910/4885NPC1 4205/4885

“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.

Send feedback