SCHEMBL3880936

SCHEMBL3880936

CCC(Br)CCCCCCCO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.43
ALDH1A1 P00352 3/20 0.43
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.39
LCK P06239 1/20 0.35
PPARD Q03181 1/20 0.35
ZDHHC20 Q5W0Z9 1/20 0.35
ZDHHC2 Q9UIJ5 1/20 0.35
ZDHHC7 Q9NXF8 1/20 0.32
KDM4E B2RXH2 2/20 0.32
CYP2D6 P10635 2/20 0.30
SPHK1 Q9NYA1 1/20 0.30
GMNN O75496 1/20 0.30
POLB P06746 1/20 0.30
THPO P40225 1/20 0.30
MTOR P42345 1/20 0.30
BLM P54132 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
SCHEMBL3877488 1.00 LMNA (0.43) LMNAALDH1A1HSD17B10MEN1KMT2A
SCHEMBL3872846 1.00 LMNA (0.43) LMNAALDH1A1HSD17B10MEN1KMT2A
SCHEMBL4641281 1.00 LMNA (0.43) LMNAALDH1A1HSD17B10MEN1KMT2A
SCHEMBL2227845 0.90
SCHEMBL23413533 0.90
SCHEMBL19439531 0.87 LCK (0.37) LMNALCKPPARDZDHHC20ZDHHC2
SCHEMBL8032127 0.83 LMNA (0.62) LMNAALDH1A1HSD17B10MEN1KMT2A
SCHEMBL2344301 0.83 LMNA (0.55) LMNAALDH1A1HSD17B10MEN1KMT2A
SCHEMBL2398065 0.83 LMNA (0.48) LMNAALDH1A1HSD17B10MEN1KMT2A
SCHEMBL9672577 0.83 LMNA (0.48) LMNAALDH1A1HSD17B10MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7491745-B2 Pyrrole-Type compounds, compositions and methods for treating cancer or viral disease GEMIN X PHARMACEUTICALS CANADA INC. (CA) 2009-02-17 US disclosed
US-20070037856-A1 e.g. 2-Ethyl-11-((3-methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-10-azabicyclo[7.2.1]dodeca-9(12),11-diene; anticarcinogenic agent; antiproliferative agent, viricide GEMIN X BIOTECHNOLOGIES INC. (CA) 2007-02-15 US disclosed
EP-1431286-A2 Prodigiosin derivatives for treating cancer or viral diseases Gemin X Biotechnologies Inc. (CA) 2004-06-23 EP disclosed
US-20040014987-A1 Pyrrole-Type compounds, compositions, and methods for treating cancer or viral diseases GEMIN X BIOTECHNOLOGIES INC. 2004-01-22 US disclosed
US-6602879-B2 For inhibiting the replication or infectivity of a virus; therapy GEMIN X BIOTECHNOLOGIES INC. (CA) 2003-08-05 US disclosed
US-20030009032-A1 Pyrrole-type compounds, compositions, and methods for treating cancer or viral diseases GEMIN X PHARMACEUTICALS CANADA INC. (CA) 2003-01-09 US disclosed
EP-1255753-A2 PRODIGIOSIN-DERIVATIVES AS NEOPLASTIC AND ANTI-VIRAL AGENTS Gemin X Biotechnologies Inc. (CA) 2002-11-13 EP disclosed
US-6407244-B1 ANTIPROLIFERATIVE AGENT GEMIN X BIOTECHNOLOGIES INC. (CA) 2002-06-18 US disclosed
WO-2001055131-A2 PRODIGIOSIN-DERIVATIVES AS NEOPLASTIC AND ANTI-VIRAL AGENTS GEMIN X BIOTECHNOLOGIES INC. (CA) 2001-08-02 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 (3 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-20040014987-A1 Pyrrole-Type compounds, compositions, and methods for treating cancer or viral diseases POLI, PYCR1, ZC3HAV1 LMNA 3539/4885ALDH1A1 3326/4885HSD17B10 3459/4885
US-20030009032-A1 Pyrrole-type compounds, compositions, and methods for treating cancer or viral diseases POLI, PYCR1, ZC3HAV1 LMNA 3539/4885ALDH1A1 3326/4885HSD17B10 3459/4885
US-20070037856-A1 e.g. 2-Ethyl-11-((3-methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-10-azabicyclo[7.2.1]dodeca-9(12),11-diene; anticarcinogenic agent; antiproliferative agent, viricide POLI, PCNA, ELL LMNA 2969/4885ALDH1A1 2915/4885HSD17B10 2272/4885

“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.