SCHEMBL5649484

SCHEMBL5649484

COc1c(N)cccc1NC(=O)c1ccc(Br)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 11/20 0.58
HDAC2 Q92769 6/20 0.58
HDAC3 O15379 4/20 0.58
HDAC4 P56524 2/20 0.58
HDAC7 Q8WUI4 2/20 0.58
HDAC10 Q969S8 2/20 0.58
HDAC11 Q96DB2 2/20 0.58
HDAC8 Q9BY41 2/20 0.58
HDAC6 Q9UBN7 2/20 0.58
HDAC9 Q9UKV0 2/20 0.58
HDAC5 Q9UQL6 2/20 0.58
F10 P00742 1/20 0.50
MAPK1 P28482 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
NCOR2 Q9Y618 1/20 0.48
EPHA2 P29317 1/20 0.47
ABCB1 P08183 1/20 0.47
KDM4E B2RXH2 1/20 0.46
PKM P14618 1/20 0.46
NPC1 O15118 1/20 0.46

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
SCHEMBL11309226 0.87 HDAC1 (0.66) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL31711699 0.87 HDAC1 (0.66) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL5649212 0.81 MAPT (0.56) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL27611712 0.81 HDAC1 (0.51) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL5647682 0.79 POLB (0.54) MAPK1ABCB1NPC1RAB9AKMT2A
SCHEMBL5644872 0.78 HDAC1 (0.54) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL8374069 0.77 KDM4E (0.46) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL9335263 0.75 MAPK1 (0.58) F10MAPK1KDM4EKMT2A
SCHEMBL27625284 0.75 HDAC2 (0.58) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL15964587 0.74 SMN1; SMN2 (0.55) F10MAPK1KDM4ENPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7183415-B2 Quinoline compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-27 US disclosed
US-7183415-B2 Quinoline compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-27 US disclosed
US-7183415-B2 Quinoline compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-27 US disclosed
US-20050209213-A1 Quinoline compound TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-09-22 US disclosed
EP-1447402-A1 QUINOLINE COMPOUND Takeda Chemical Industries, Ltd. (JP) 2004-08-18 EP 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-20050209213-A1 Quinoline compound MC1R, MC2R, TYR HDAC1 510/4885HDAC2 647/4885HDAC3 377/4885

“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.