SCHEMBL4949213

SCHEMBL4949213

O=Cc1ccc2cnn(Cc3ccc(-c4ccccc4)cc3)c2c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 7/20 0.53
RECQL P46063 1/20 0.51
GRM2 Q14416 1/20 0.41
MET P08581 2/20 0.40
PKM P14618 1/20 0.40
PKLR P30613 1/20 0.40
NPBWR1 P48145 1/20 0.40
KDM4C Q9H3R0 1/20 0.39
KMO O15229 2/20 0.39
FAAH O00519 1/20 0.39
MGLL Q99685 1/20 0.39
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
IP6K1 Q92551 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
SCHEMBL1993597 0.81 RECQL (0.60) BRD4RECQLKDM4CKMOTDP1
SCHEMBL2566125 0.81 BRD4 (0.53) BRD4PKMPKLRNPBWR1TDP1
SCHEMBL585984 0.79 RECQL (0.60) BRD4RECQLKDM4CKMOPOLB
SCHEMBL2576669 0.79 RECQL (0.60) BRD4RECQLKDM4CKMOTDP1
SCHEMBL25411304 0.76 HDAC6 (0.55) BRD4RECQL
SCHEMBL27308857 0.75 CYP2A6 (0.46) KMO
SCHEMBL17095021 0.72 HTR2A (0.47) BRD4METKMO
SCHEMBL15686944 0.72 RECQL (0.64) BRD4RECQLMETKDM4CKMO
SCHEMBL30828965 0.72 RECQL (0.64) BRD4RECQLMETKDM4CKMO
SCHEMBL31558333 0.72 HTR2A (0.47) BRD4KMO

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-20080200535-A1 sphingosine 1-phosphate-1/EDG-1 receptor agonists; autoimmune diseases; immunosuppressants by inducing lymphocyte sequestration in secondary lymphoid tissues; 4-aminocyclopentane-2-encarboxylic acid hydrochloric acid salt ASAHI KASEI PHARMA CORPORATION (JP) 2008-08-21 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-20080200535-A1 sphingosine 1-phosphate-1/EDG-1 receptor agonists; autoimmune diseases; immunosuppressants by inducing lymphocyte sequestration in secondary lymphoid tissues; 4-aminocyclopentane-2-encarboxylic acid hydrochloric acid salt S1PR1, S1PR2, S1PR4 BRD4 2454/4885RECQL 4432/4885GRM2 1883/4885

“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.