SCHEMBL16077789

SCHEMBL16077789

CS/C(=C\[N+](=O)[O-])Nc1cccc(F)c1

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.72
ALDH1A1 P00352 10/20 0.72
HTT P42858 3/20 0.72
LMNA P02545 4/20 0.61
SMN1; SMN2 Q16637 3/20 0.55
MEN1 O00255 7/20 0.45
KMT2A Q03164 7/20 0.45
MAPK1 P28482 2/20 0.45
TRPV1 Q8NER1 1/20 0.45
RAB9A P51151 4/20 0.45
GAA P10253 2/20 0.44
NPC1 O15118 2/20 0.43
TSHR P16473 1/20 0.42
HPGD P15428 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PKM P14618 1/20 0.42

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
SCHEMBL22309920 0.84 ALDH1A1 (1.00) MAPTALDH1A1HTTLMNASMN1; SMN2
SCHEMBL16077770 0.84 MAPT (1.00) MAPTALDH1A1HTTLMNASMN1; SMN2
SCHEMBL8591336 0.84 MAPT (1.00) MAPTALDH1A1HTTLMNASMN1; SMN2
SCHEMBL8591331 0.84 MAPT (1.00) MAPTALDH1A1HTTLMNASMN1; SMN2
SCHEMBL6217154 0.82 ALDH1A1 (0.69) MAPTALDH1A1HTTLMNASMN1; SMN2
SCHEMBL6217152 0.82 ALDH1A1 (0.69) MAPTALDH1A1HTTLMNASMN1; SMN2
SCHEMBL15867716 0.78 MAPT (0.72) MAPTALDH1A1HTTLMNASMN1; SMN2
SCHEMBL1562970 0.76 MAPT (1.00) MAPTALDH1A1HTTLMNASMN1; SMN2
SCHEMBL1562969 0.76 MAPT (1.00) MAPTALDH1A1HTTLMNASMN1; SMN2
SCHEMBL4680436 0.75 ALDH1A1 (0.71) MAPTALDH1A1HTTLMNASMN1; SMN2

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-20170313745-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD SCIENCES, INC. 2017-11-02 US disclosed
US-9617310-B2 Inhibitors of hepatitis C virus GILEAD SCIENCES, INC. (US) 2017-04-11 US disclosed
US-9617310-B2 Inhibitors of hepatitis C virus GILEAD SCIENCES, INC. (US) 2017-04-11 US disclosed
US-20140274884-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD SCIENCES, INC. 2014-09-18 US disclosed
US-20140274884-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD SCIENCES, INC. 2014-09-18 US disclosed
WO-2014145095-A1 MACROCYCLIC AND BICYCLIC INHIBITORS OF HEPATITIS C VIRUS GILEAD SCIENCES, INC. (US) 2014-09-18 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-20140274884-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, LIPC MAPT 3047/4885ALDH1A1 200/4885HTT 4085/4885
US-20170313745-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, LIPC MAPT 3047/4885ALDH1A1 200/4885HTT 4085/4885

“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.