SCHEMBL16992863

SCHEMBL16992863

Cc1cc(N=C(c2ccccc2)c2ccccc2)cc(F)n1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 2/20 0.46
HTT P42858 1/20 0.46
ESR2 Q92731 6/20 0.40
ESR1 P03372 5/20 0.40
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPK1 P28482 1/20 0.33
MDM2 Q00987 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 2/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL24207444 0.75 LMNA (0.38) ALDH1A1SMN1; SMN2LMNAHTTESR2
SCHEMBL5604475 0.73 ESR2 (0.53) ALDH1A1SMN1; SMN2LMNAHTTESR2
SCHEMBL25215760 0.70 GAA (0.38) ALDH1A1SMN1; SMN2LMNAHTTESR2
SCHEMBL25438903 0.70 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2LMNAHTTESR2
SCHEMBL30422465 0.70 GAA (0.38) ALDH1A1SMN1; SMN2LMNAHTTESR2
SCHEMBL17225003 0.69 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2LMNAHTTNPC1
SCHEMBL3847320 0.68 ESR1 (0.43) SMN1; SMN2ESR2ESR1NPC1RAB9A
SCHEMBL24206815 0.68 CYP1A2 (0.50) ALDH1A1SMN1; SMN2LMNAHTTESR2
SCHEMBL1327322 0.68 ESR2 (0.40) ALDH1A1SMN1; SMN2LMNAHTTESR2
SCHEMBL3844695 0.68 ESR2 (0.40) ALDH1A1SMN1; SMN2LMNAHTTESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11078193-B2 Sulphamoylpyrrolamide derivatives and the use thereof as medicaments for the treatment of hepatitis B JANSSEN SCIENCES IRELAND UC (IE) 2021-08-03 US disclosed
EP-3102572-B1 SULPHAMOYLPYRROLAMIDE DERIVATIVES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B JANSSEN SCIENCES IRELAND UC (IE) 2018-10-24 EP disclosed
EP-3102572-A1 SULPHAMOYLPYRROLAMIDE DERIVATIVES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B Janssen Sciences Ireland UC (IE) 2016-12-14 EP disclosed
US-20160347741-A1 SULPHAMOYLPYRROLAMIDE DERIVATIVES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B JANSSEN SCIENCES IRELAND UC 2016-12-01 US disclosed
WO-2015118057-A1 SULPHAMOYLPYRROLAMIDE DERIVATIVES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B JANSSEN SCIENCES IRELAND UC (IE) 2015-08-13 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-11078193-B2 Sulphamoylpyrrolamide derivatives and the use thereof as medicaments for the treatment of hepatitis B RB1, SRR, RRP12 ALDH1A1 2307/4885SMN1; SMN2 4646/4885LMNA 2646/4885
US-20160347741-A1 SULPHAMOYLPYRROLAMIDE DERIVATIVES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B RB1, SRR, RRP12 ALDH1A1 2307/4885SMN1; SMN2 4646/4885LMNA 2646/4885

“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.