SCHEMBL4580083

SCHEMBL4580083

Cc1nc(Br)n2c1C(=O)CCC2

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP1A2 P05177 2/20 0.32
USP2 O75604 1/20 0.32
BCHE P06276 1/20 0.32
CFTR P13569 1/20 0.32
ALOX15 P16050 1/20 0.32
ACHE P22303 1/20 0.32
HKDC1 Q2TB90 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GOPC Q9HD26 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HPGD P15428 1/20 0.31

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
SCHEMBL25419321 0.73 L3MBTL1 (0.35) SMN1; SMN2ALDH1A1CYP1A2L3MBTL1
SCHEMBL18367149 0.72 BRD4 (0.38) SMN1; SMN2ALDH1A1HSD17B10TDP1L3MBTL1
SCHEMBL14177833 0.70 ALDH1A1 (0.31) ALDH1A1TDP1L3MBTL1
SCHEMBL4591323 0.68 DRD2 (0.39) SMN1; SMN2KDM4EALDH1A1CYP1A2USP2
SCHEMBL5222472 0.63 DRD2 (0.34) SMN1; SMN2ALDH1A1
SCHEMBL4581921 0.62 HSD17B10 (0.34) KDM4EHSD17B10
SCHEMBL18366999 0.61 BRD4 (0.37) KDM4E
SCHEMBL17369347 0.61 POLB (0.36) SMN1; SMN2KDM4EALDH1A1USP2HSD17B10
SCHEMBL7979271 0.61 L3MBTL1 (0.41) SMN1; SMN2KDM4EALDH1A1CYP1A2USP2
SCHEMBL31612976 0.61 MEN1 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080119457-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-05-22 US claimed
US-20080119457-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-05-22 US disclosed
US-20080119457-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-05-22 US disclosed
US-20080119457-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-05-22 US disclosed
WO-2008024978-A2 TETRAHYDROINDOLONE AND TETRAHYDROINDAZOLONE DERIVATIVES SERENEX, INC. (US) 2008-02-28 WO disclosed
WO-2008024978-A2 TETRAHYDROINDOLONE AND TETRAHYDROINDAZOLONE DERIVATIVES SERENEX, INC. (US) 2008-02-28 WO 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-20080119457-A1 Benzene, Pyridine, and Pyridazine Derivatives MKI67, CCNB1, RB1 SMN1; SMN2 2840/4885KDM4E 1597/4885ALDH1A1 440/4885

“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.