SCHEMBL4419381

SCHEMBL4419381

CCOC(=O)c1cc2[nH]c3ncc(C)cc3c2cc1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.42
PKM P14618 1/20 0.42
GABRA1 P14867 5/20 0.40
GABRA3 P34903 5/20 0.40
GABRG2 P18507 4/20 0.40
GABRB3 P28472 4/20 0.40
GABRA5 P31644 4/20 0.40
GABRA2 P47869 4/20 0.40
GABRA4 P48169 4/20 0.40
GABRA6 Q16445 4/20 0.40
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 4/20 0.40
LMNA P02545 3/20 0.40
GABRB1 P18505 3/20 0.40
GABRB2 P47870 3/20 0.40
NPC1 O15118 3/20 0.40
GABRP O00591 2/20 0.40
GABRD O14764 2/20 0.40
GABRE P78334 2/20 0.40
GABRG1 Q8N1C3 2/20 0.40

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
SCHEMBL4417860 0.78 ALDH1A1 (0.51) MAPTGABRA1GABRA3GABRG2GABRB3
SCHEMBL71222 0.71 TSHR (0.57) MAPTKDM4EALDH1A1LMNANPC1
SCHEMBL3108102 0.70 TSHR (0.46) KDM4EALDH1A1NPC1SMN1; SMN2MAPK1
SCHEMBL12123472 0.69 TSHR (0.55) MAPTKDM4EALDH1A1LMNANPC1
SCHEMBL5218804 0.69 KDM4E (0.57) MAPTKDM4EALDH1A1LMNANPC1
SCHEMBL4415744 0.68 XDH (0.39) MAPTGABRA1GABRA3GABRG2GABRB3
SCHEMBL26520578 0.68 KMT2A (0.59) MAPTKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL29709735 0.68 NPC1 (0.46) MAPTPKMKDM4EALDH1A1LMNA
SCHEMBL18341514 0.68 NPC1 (0.46) MAPTPKMKDM4EALDH1A1LMNA
SCHEMBL21351932 0.68 NPC1 (0.46) MAPTPKMKDM4EALDH1A1LMNA

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-20090326229-A1 ALPHA-CARBOLINE DERIVATIVES AND METHODS FOR PREPARATION THEREOF TAKEDA PHAMACEUTICAL COMPANY LIMITED (JP) 2009-12-31 US disclosed
US-20090326229-A1 ALPHA-CARBOLINE DERIVATIVES AND METHODS FOR PREPARATION THEREOF TAKEDA PHAMACEUTICAL COMPANY LIMITED (JP) 2009-12-31 US disclosed
US-20090326229-A1 ALPHA-CARBOLINE DERIVATIVES AND METHODS FOR PREPARATION THEREOF TAKEDA PHAMACEUTICAL COMPANY LIMITED (JP) 2009-12-31 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-20090326229-A1 ALPHA-CARBOLINE DERIVATIVES AND METHODS FOR PREPARATION THEREOF XDH, F7, CYP4X1 MAPT 4329/4885PKM 1531/4885GABRA1 1694/4885

“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.