SCHEMBL443470

SCHEMBL443470

Fc1ccc(-c2c[nH]c(-c3ncc[nH]3)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 2/20 0.42
MAPK1 P28482 1/20 0.42
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
MTOR P42345 1/20 0.41
ADK P55263 1/20 0.41
CASP6 P55212 1/20 0.40
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 4/20 0.38
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
PKM P14618 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP19A1 P11511 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL16428799 0.84 ADRA2A (0.42) NISCHPDE3BPDE3AMTORADK
SCHEMBL1425562 0.84 NISCH (0.42) NISCHPDE3BPDE3AMTORADK
SCHEMBL1463267 0.83 NISCH (0.61) NISCHMAPK1PDE3BPDE3AMTOR
SCHEMBL15029205 0.81 MAPK1 (0.42) MAPK1ALDH1A1KDM4ERAB9ANPC1
SCHEMBL5556380 0.80 MAPK1 (0.46) NISCHMAPK1ALDH1A1KDM4ERAB9A
SCHEMBL24575957 0.79 NISCH (0.42) NISCHPDE3BPDE3AMTORADK
SCHEMBL771236 0.79 NISCH (0.64) NISCHMAPK1PDE3BPDE3AMTOR
Hydrochloric Acid SCHEMBL28346045 0.77 NISCH (0.62) NISCHMAPK1PDE3BPDE3AMTOR
Bromide SCHEMBL28348957 0.77 NISCH (0.62) NISCHMAPK1PDE3BPDE3AMTOR
SCHEMBL24575959 0.75 MAPK1 (0.48) NISCHMAPK1MTORADKALDH1A1

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-1673663-B1 LIGHT SENSITIVE COATING COMPOSITIONS FOR LITHOGRAPHIC ELEMENTS IBF IND BRASILEIRA DE FILMES SA (BR) 2011-03-23 EP claimed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 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-20120065191-A1 PHARMACEUTICAL COMPOUNDS FAAH, FAAH2, ASAH1 NISCH 334/4885MAPK1 3471/4885PDE3B 393/4885

“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.