SCHEMBL12090307

SCHEMBL12090307

COc1ccc2c(CCC(=O)N(C)C)nn(C)c2c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 1/20 0.42
▸ KAT2B Q92831 2/20 0.41
▸ HTR3A P46098 1/20 0.41
▸ MTNR1A P48039 1/20 0.39
▸ MTNR1B P49286 1/20 0.39
▸ DYRK1A Q13627 9/20 0.39
▸ LMNA P02545 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL12090340 0.86 DYRK1A (0.48) KDM4CHTR3ADYRK1AKDM4EALDH1A1
SCHEMBL12090346 0.79 KDM4C (0.44) KDM4CKAT2BHTR3ADYRK1ALMNA
SCHEMBL10271492 0.76 HASPIN (0.46) KDM4CKAT2BHTR3ADYRK1AALDH1A1
SCHEMBL11897362 0.71 CYP2D6 (0.45) —
SCHEMBL4782808 0.71 HTR3A (0.55) KDM4CHTR3ADYRK1ALMNAKDM4E
SCHEMBL25793332 0.70 HTR6 (0.58) KAT2BHTR3AMTNR1AMTNR1B
SCHEMBL12093544 0.69 PSEN1 (0.39) —
SCHEMBL7658563 0.69 ALDH1A1 (0.43) KDM4EALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL8566732 0.68 ALOX5 (0.66) ALDH1A1HTTSMN1; SMN2
SCHEMBL12347982 0.68 ADORA2A (0.55) KDM4CHTR3ADYRK1AALDH1A1

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-20120225909-A1 INDAZOLE ANALOG ASAHI KASEI PHARMA CORPORATION (JP) 2012-09-06 — — 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-20120225909-A1 INDAZOLE ANALOG ADRB3, ADRB1, ADRB2 KDM4C 4312/4885KAT2B 2105/4885HTR3A 13/4885

“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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