SCHEMBL3501960

SCHEMBL3501960

COc1cc2c(cc1Br)c(O[C@@H]1C[C@@H](C(=O)O)N(C(=O)O)C1)nc1cc(C#N)ccc12

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 2/20 0.37
FFAR2 O15552 1/20 0.33
ALK Q9UM73 1/20 0.33
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
PDE10A Q9Y233 1/20 0.32
MAPK7 Q13164 1/20 0.31
PDE5A O76074 2/20 0.31
HCRTR1 O43613 2/20 0.31
HCRTR2 O43614 2/20 0.31
MAPK10 P53779 1/20 0.31
GPR6 P46095 1/20 0.30
AKR1C3 P42330 1/20 0.30
CYP11B2 P19099 1/20 0.30

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
SCHEMBL13254494 0.84 NSD2 (0.39) NSD2
Hydrochloric Acid SCHEMBL3503399 0.81 ALK (0.35) NSD2ALK
SCHEMBL4301154 0.76 APAF1 (0.39) NSD2PDE10AHCRTR1HCRTR2
SCHEMBL2892863 0.74 SMN1; SMN2 (0.40) PDE10A
SCHEMBL13282478 0.73 ELANE (0.33)
SCHEMBL3502900 0.73 RXFP1 (0.35) HCRTR1HCRTR2
SCHEMBL13254490 0.73 ELANE (0.34)
SCHEMBL2897227 0.72 HTR3E (0.36) HCRTR1HCRTR2
SCHEMBL16502027 0.71 ALK (0.40) NSD2ALKMAPK10
SCHEMBL2891999 0.71 GRIN2D (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8927569-B2 Macrocyclic compounds as antiviral agents MERCK SHARP & DOHME CORP. (US) 2015-01-06 US disclosed
EP-2178902-B1 MACROCYCLIC COMPOUNDS AS ANTIVIRAL AGENTS ANGELETTI P IST RICHERCHE BIO (IT) 2012-11-28 EP disclosed
US-20100183551-A1 Macrocyclic Compounds As Antiviral Agents MERCK SHARP & DOHME LLC 2010-07-22 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-20100183551-A1 Macrocyclic Compounds As Antiviral Agents ZC3HAV1, RNASE1, RRP1B NSD2 1079/4885FFAR2 4504/4885ALK 4308/4885

“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.