SCHEMBL937844

SCHEMBL937844

Fc1cnccc1CN1CCCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
KDM4E B2RXH2 3/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
LOXL2 Q9Y4K0 1/20 0.52
CACNA1B Q00975 2/20 0.50
CHRNB2 P17787 1/20 0.50
CHRNA4 P43681 1/20 0.50
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
TYK2 P29597 1/20 0.43
JAK3 P52333 1/20 0.43
POLB P06746 1/20 0.43
HTT P42858 1/20 0.42
CYP2A13 Q16696 1/20 0.41
HRH3 Q9Y5N1 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KCNH3 Q9ULD8 1/20 0.40
GPR6 P46095 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL937213 0.96 LOXL2 (0.52) ALDH1A1KDM4ESMN1; SMN2LOXL2CACNA1B
SCHEMBL30031635 0.85 JAK2 (0.48) ALDH1A1KDM4ESMN1; SMN2LOXL2CACNA1B
SCHEMBL18713008 0.85 LOXL2 (0.47) ALDH1A1KDM4ELOXL2JAK2JAK1
SCHEMBL18713018 0.85 LOXL2 (0.47) ALDH1A1KDM4ESMN1; SMN2LOXL2JAK2
SCHEMBL790258 0.82 LOXL2 (0.49) ALDH1A1KDM4ELOXL2JAK2JAK1
SCHEMBL18390592 0.81 LOXL2 (0.44) ALDH1A1KDM4ELOXL2JAK2JAK1
SCHEMBL21608038 0.79 LOXL2 (0.45) ALDH1A1KDM4ESMN1; SMN2LOXL2JAK2
SCHEMBL20353621 0.79 LOXL2 (0.41) ALDH1A1KDM4ESMN1; SMN2LOXL2CACNA1B
SCHEMBL24582722 0.79 CACNA1B (0.50) ALDH1A1KDM4ESMN1; SMN2CACNA1BCHRNB2
SCHEMBL29939247 0.79 AOC1 (0.53) ALDH1A1KDM4ECACNA1BCHRNB2CHRNA4

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-20140030223-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2014-01-30 US disclosed
US-8569302-B2 Inhibitors of flaviviridae viruses GILEAD SCIENCES, INC. (US) 2013-10-29 US disclosed
EP-2475657-B1 5-ALKINYLTHIEN-2-YLCARBOXYLIC ACIDS AS INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES INC (US) 2013-06-12 EP disclosed
EP-2475657-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES Gilead Sciences, Inc. (US) 2012-07-18 EP disclosed
US-20110020278-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2011-01-27 US disclosed
WO-2011011303-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2011-01-27 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 (2 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-20140030223-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, CYP2F1, CYP4F3 ALDH1A1 462/4885KDM4E 1933/4885SMN1; SMN2 1851/4885
US-20110020278-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, CYP2F1, CYP4F3 ALDH1A1 462/4885KDM4E 1933/4885SMN1; SMN2 1851/4885

“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.