SCHEMBL221792

SCHEMBL221792

CCCC(=O)N1c2ccc(C(=O)O)cc2[C@H](Nc2ccc(-c3csc(C)n3)cc2)C[C@@H]1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 12/20 0.52
BRD2 P25440 10/20 0.52
BRD3 Q15059 10/20 0.52
TRIM24 O15164 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
TAF1 P21675 1/20 0.49
CYP2C19 P33261 1/20 0.49
EP300 Q09472 1/20 0.49
BRDT Q58F21 1/20 0.49
PBRM1 Q86U86 1/20 0.49
TAF1L Q8IZX4 1/20 0.49
CREBBP Q92793 1/20 0.49
BRWD1 Q9NSI6 1/20 0.49
TRIM33 Q9UPN9 1/20 0.49
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
TP53 P04637 1/20 0.47
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL225875 0.89 BRD4 (0.66) BRD4BRD2BRD3TRIM24CYP3A4
SCHEMBL221491 0.89 BRD4 (0.66) BRD4BRD2BRD3TRIM24CYP3A4
SCHEMBL2741231 0.83 BRD4 (0.59) BRD4BRD2BRD3TRIM24CYP3A4
SCHEMBL222954 0.82 BRD4 (0.54) BRD4BRD2BRD3TRIM24CYP3A4
SCHEMBL221791 0.82 BRD4 (0.54) BRD4BRD2BRD3TRIM24CYP3A4
SCHEMBL224119 0.82 BRD4 (0.63) BRD4BRD2BRD3TRIM24CYP3A4
SCHEMBL223017 0.81 BRD4 (0.51) BRD4BRD2BRD3TRIM24CYP3A4
SCHEMBL224618 0.81 BRD4 (0.56) BRD4BRD2BRD3TRIM24CYP3A4
SCHEMBL224681 0.80 BRD4 (0.51) BRD4BRD2BRD3TRIM24CYP3A4
SCHEMBL15992961 0.79 BRD4 (0.54) BRD4BRD2BRD3TRIM24CYP3A4

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
EP-2415764-A1 PROPHYLACTIC AND/OR THERAPEUTIC AGENT FOR ANEMIA COMPRISING TETRAHYDROQUINOLINE COMPOUND AS ACTIVE INGREDIENT Kowa Company, Ltd. (JP) 2012-02-08 EP disclosed
US-20120004197-A1 PROPHYLACTIC AND/OR THERAPEUTIC AGENT FOR ANEMIA COMPRISING TETRAHYDROQUINOLINE COMPOUND AS ACTIVE INGREDIENT KOWA COMPANY, LTD. (JP) 2012-01-05 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-20120004197-A1 PROPHYLACTIC AND/OR THERAPEUTIC AGENT FOR ANEMIA COMPRISING TETRAHYDROQUINOLINE COMPOUND AS ACTIVE INGREDIENT EPOR, HBG1, HBG2 BRD4 861/4885BRD2 1499/4885BRD3 1556/4885

“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.