SCHEMBL22946240

SCHEMBL22946240

COCCn1ccc2cc(C)c(OC)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ NCOR2 Q9Y618 1/20 0.41
▸ GRIN2B Q13224 1/20 0.41
▸ HTR2A P28223 2/20 0.40
▸ HTR2C P28335 2/20 0.40
▸ GLO1 Q04760 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CASR P41180 3/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ HCRTR2 O43614 1/20 0.38
▸ USP2 O75604 1/20 0.37

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
SCHEMBL6870435 0.89 HDAC3 (0.48) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL22946242 0.75 HTR2C (0.68) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL24110368 0.74 HTR2C (0.37) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL20939415 0.73 GRIN2B (0.43) GRIN2B
SCHEMBL24110500 0.73 HTR2C (0.36) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL18239404 0.72 HTR7 (0.53) HTR2AHTR2CMTNR1AMTNR1BMCL1
SCHEMBL1612942 0.72 HTR2C (0.55) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL5333977 0.72 HTR2C (0.55) GRIN2BHTR2AHTR2CGLO1MTNR1A
SCHEMBL21051475 0.72 GLO1 (0.50) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL3653449 0.72 PRKCI (0.54) HTR2AHTR2CGLO1MTNR1AMTNR1B

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-11186589-B2 Cyanoindoline derivatives as NIK inhibitors JANSSEN PHARMACEUTICA NV (BE) 2021-11-30 — — US disclosed
US-20210032267-A1 CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2021-02-04 — — 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-20210032267-A1 CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS MAP3K14, NFKBIA, MAP3K15 HDAC3 471/4885HDAC1 590/4885HDAC2 734/4885
US-11186589-B2 Cyanoindoline derivatives as NIK inhibitors MAP3K14, NFKBIA, MAP3K15 HDAC3 471/4885HDAC1 590/4885HDAC2 734/4885

“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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