SCHEMBL2820469

SCHEMBL2820469

O=C(O)c1cn(-c2ccccc2OCc2ccccc2)nn1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 2/20 0.66
▸ NOTUM Q6P988 1/20 0.51
▸ P4HTM Q9NXG6 1/20 0.45
▸ CA2 P00918 1/20 0.43
▸ CA5A P35218 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ HTR1A P08908 1/20 0.43
▸ SLC6A2 P23975 1/20 0.43
▸ SLC6A4 P31645 1/20 0.43
▸ SLC6A3 Q01959 1/20 0.43
▸ SRD5A2 P31213 1/20 0.42
▸ PTGER1 P34995 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ RXRA P19793 2/20 0.41
▸ RXRB P28702 2/20 0.41
▸ RXRG P48443 1/20 0.41
▸ HPGD P15428 1/20 0.41

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
SCHEMBL15882889 0.81 CA2 (0.48) NOTUMCA2CA5ACA9
SCHEMBL2820052 0.74 KCNMA1 (0.53) NOTUMCA2CA9HPGD
SCHEMBL2220827 0.73 NOTUM (0.56) NOTUMCA2CA5ACA9
SCHEMBL9671472 0.72 SRD5A2 (0.46) P4HTMSRD5A2PTGER1RXRARXRB
SCHEMBL28034860 0.72 HDAC8 (0.50) NOTUMSLC6A2SLC6A3PTGER1HPGD
SCHEMBL3495233 0.71 ALDH1A1 (0.46) BRD4CA2CA9HTR1ASLC6A2
SCHEMBL5614060 0.71 KCNMA1 (0.41) BRD4CA2CA5ACA9
SCHEMBL69876 0.70 ESRRA (0.62) NOTUMCA2CA9
SCHEMBL31039821 0.70 ALKBH2 (0.55) NOTUMP4HTMCA2CA9
SCHEMBL1221308 0.70 ALKBH2 (0.55) NOTUMP4HTMCA2CA9

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
WO-2010075356-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-07-01 — — WO disclosed
US-20100160323-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-24 — — 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-20100160323-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 BRD4 216/4885NOTUM 99/4885P4HTM 1457/4885

“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.

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