SCHEMBL399996

SCHEMBL399996

CCOc1c(C=C(C#N)C(N)=O)c2ccccc2n1Cc1ccccc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.80
▸ MAPT P10636 7/20 0.63
▸ ALDH1A1 P00352 6/20 0.63
▸ LMNA P02545 4/20 0.63
▸ SMN1; SMN2 Q16637 2/20 0.63
▸ NPSR1 Q6W5P4 1/20 0.63
▸ MEN1 O00255 4/20 0.56
▸ KMT2A Q03164 4/20 0.56
▸ KDM4E B2RXH2 3/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ NPC1 O15118 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ APP P05067 1/20 0.45
▸ SNCA P37840 1/20 0.45
▸ PKM P14618 1/20 0.45
▸ MCL1 Q07820 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ EGFR P00533 2/20 0.41

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
SCHEMBL399995 1.00 HTT (0.80) HTTMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL399066 0.89 HTT (1.00) HTTMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL399065 0.89 HTT (1.00) HTTMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL14457011 0.86 HTT (0.58) HTTMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL399883 0.82 HTT (0.71) HTTMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL399884 0.82 HTT (0.71) HTTMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL8713370 0.77 MAPT (0.66) HTTMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL8713366 0.77 MAPT (0.66) HTTMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL10148248 0.73 CYP19A1 (0.47) HTTMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL8717977 0.71 MAPT (0.64) HTTMAPTALDH1A1LMNASMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101604-B2 Alpha carbolines and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-24 — — US disclosed
US-20100311715-A1 ALPHA CARBOLINES AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-12-09 — — US disclosed
US-7812018-B2 inhibitors of I kappa B kinase ( IKK-2) 2-amino-9-methyl-9H-pyrido[2,3-b]indole-3-carboxamide, useful for treating inflammatory diseases and cancer MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-10-12 — — US disclosed
US-20070207997-A1 Alpha carbolines and uses thereof MILLENNIUM PHARMACEUTICALS, INC. 2007-09-06 — — 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 (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-20070207997-A1 Alpha carbolines and uses thereof CHRM1, CNR1, CXCR1 HTT 1666/4885MAPT 3493/4885ALDH1A1 416/4885
US-20100311715-A1 ALPHA CARBOLINES AND USES THEREOF CHRM1, CNR1, CXCR1 HTT 1666/4885MAPT 3493/4885ALDH1A1 416/4885

“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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