SCHEMBL22587986

SCHEMBL22587986

O=C(Cc1ccc2ncccc2c1)N1CCC(Nc2ccccc2[N+](=O)[O-])CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 3/20 0.48
▸ HDAC3 O15379 3/20 0.46
▸ CCR3 P51677 1/20 0.43
▸ ECE2 P0DPD6 1/20 0.41
▸ MAPT P10636 2/20 0.41
▸ PKM P14618 2/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ CCNE1 P24864 1/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ CDK5 Q00535 1/20 0.40
▸ SYK P43405 1/20 0.40
▸ AIMP2 Q13155 1/20 0.40
▸ TRPV1 Q8NER1 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ SIGMAR1 Q99720 2/20 0.39
▸ ORAI1 Q96D31 1/20 0.39

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
SCHEMBL31285878 1.00 MAPK1 (0.48) MAPK1HDAC3CCR3ECE2MAPT
SCHEMBL22605517 0.85 HDAC3 (0.60) HDAC3CCR3ECE2CCNE1CDK2
SCHEMBL31285852 0.85 HDAC3 (0.60) HDAC3CCR3ECE2CCNE1CDK2
SCHEMBL28527229 0.84 SYK (0.41) CCR3ECE2SYKTRPV1
SCHEMBL30317154 0.83 HDAC3 (0.48) HDAC3CCR3ECE2ALDH1A1CCNE1
SCHEMBL22605817 0.82 HDAC3 (0.52) HDAC3CCR3ECE2MAPTALDH1A1
SCHEMBL28527704 0.79 MAPK1 (0.53) MAPK1MAPTPKMRAB9AALDH1A1
SCHEMBL31285863 0.78 MAPK1 (0.56) MAPK1ALDH1A1SIGMAR1NPSR1
SCHEMBL22605881 0.78 MAPK1 (0.53) MAPK1MAPTPKMRAB9AALDH1A1
SCHEMBL22587877 0.78 MAPK1 (0.56) MAPK1ALDH1A1SIGMAR1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230099441-A1 HETEROCYCLIC COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME GENEROS BIOPHARMA LTD. (CN) 2023-03-30 — — US disclosed
WO-2020216378-A1 HETEROCYCLIC COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME 健艾仕生物医药有限公司 2020-10-29 — — WO disclosed
WO-2020216378-A1 HETEROCYCLIC COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME 健艾仕生物医药有限公司 2020-10-29 — — 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-20230099441-A1 HETEROCYCLIC COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME STAT5A, STAT5B, JAK2 MAPK1 258/4885HDAC3 43/4885CCR3 1931/4885

“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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