SCHEMBL23874038

SCHEMBL23874038

CC(C)(C)c1ccc(-c2nc3cc(-n4c(-c5ccc(-c6nc7ccccc7n6-c6ccc7[nH]c(C(C)(C)C)nc7c6)cc5)nc5ccccc54)ccc3[nH]2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 2/20 0.53
▸ TNKS O95271 1/20 0.42
▸ TNKS2 Q9H2K2 1/20 0.42
▸ SCD O00767 1/20 0.40
▸ ESR1 P03372 1/20 0.39
▸ ESR2 Q92731 1/20 0.39
▸ GRIA1 P42261 1/20 0.39
▸ CACNG8 Q8WXS5 1/20 0.39
▸ CACNG2 Q9Y698 1/20 0.39
▸ TRPV1 Q8NER1 2/20 0.39
▸ NPBWR1 P48145 1/20 0.39
▸ CNR1 P21554 1/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ GPR55 Q9Y2T6 1/20 0.38
▸ ADORA2A P29274 1/20 0.37
▸ ACHE P22303 1/20 0.36
▸ NPC1 O15118 4/20 0.36
▸ RAB9A P51151 4/20 0.36
▸ SMN1; SMN2 Q16637 4/20 0.36
▸ MEN1 O00255 2/20 0.36

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
SCHEMBL27154669 0.96 HDAC6 (0.52) HDAC6TNKSTNKS2SCDTRPV1
SCHEMBL27154670 0.83 SCD (0.56) HDAC6SCDESR1ESR2GRIA1
SCHEMBL26017755 0.78 ESR2 (0.60) HDAC6ESR1ESR2GRIA1CACNG8
SCHEMBL27154645 0.77 NPC1 (0.55) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL23873951 0.77 ESR1 (0.56) HDAC6ESR1ESR2GRIA1CACNG8
SCHEMBL23874010 0.77 ESR1 (0.46) HDAC6ESR1ESR2GRIA1CACNG8
SCHEMBL12250680 0.76 HDAC6 (0.61) HDAC6TNKSTNKS2SCDTRPV1
SCHEMBL14947867 0.74 ESR2 (0.55) HDAC6ESR1ESR2GRIA1CACNG8
SCHEMBL15064151 0.74 ESR1 (0.58) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL19374106 0.74 ESR1 (0.67) HDAC6ESR1ESR2GRIA1CACNG8

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 HDAC6 360/4885TNKS 121/4885TNKS2 76/4885
US-11912825-B2 Polymers derived from 2,2′-bisimidazoles PARG, PARN, NOP2 HDAC6 380/4885TNKS 117/4885TNKS2 81/4885

“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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