SCHEMBL13858918

SCHEMBL13858918

[c]1cc(-c2cccs2)ccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2E1 P05181 1/20 0.48
CYP2A6 P11509 1/20 0.48
CYP2B6 P20813 1/20 0.48
CYP17A1 P05093 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
LTA4H P09960 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KDM4E B2RXH2 6/20 0.39
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.39
KMT2A Q03164 2/20 0.39
TDP1 Q9NUW8 2/20 0.39

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
SCHEMBL3604280 0.74 CYP17A1 (0.68) CYP3A4CYP2C9CYP2E1CYP2A6CYP2B6
SCHEMBL4907036 0.73 LMNA (0.35) MAPT
SCHEMBL17701217 0.72 DYRK1A (0.46) MAPT
SCHEMBL19219074 0.71 CYP17A1 (0.69) CYP3A4CYP2C9CYP2E1CYP2A6CYP2B6
SCHEMBL5544362 0.71 CYP2C9 (0.50) CYP3A4CYP2C9CYP2E1CYP2A6CYP2B6
SCHEMBL16033234 0.70 MAPT (0.55) CYP3A4CYP2C9NPC1RAB9ASMN1; SMN2
SCHEMBL500888 0.69 CYP2C9 (0.53) CYP3A4CYP2C9CYP2E1CYP2A6CYP2B6
SCHEMBL17701230 0.69 PDPK1 (0.52) CYP2A6RAB9ACYP1A2
SCHEMBL338810 0.69 LTA4H (0.70) CYP3A4CYP2C9CYP2E1CYP2A6CYP2B6
SCHEMBL1464252 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2709666-B1 BIO-ORTHOGONAL DRUG ACTIVATION KONINKLIJKE PHILIPS NV (NL) 2021-07-14 EP disclosed
US-10004810-B2 Bio-orthogonal drug activation TAGWORKS PHARMACEUTICALS B.V. (NL) 2018-06-26 US disclosed
US-20170143840-A1 BIO-ORTHOGONAL DRUG ACTIVATION TAGWORKS PHARMACEUTICALS B.V. (NL) 2017-05-25 US disclosed
EP-3135277-A1 PARASITE CONTROL AGENT OR PARASITICIDE Nippon Soda Co., Ltd. (JP) 2017-03-01 EP disclosed
US-20170035711-A1 PARASITE CONTROL AGENT FOR PARASITICIDE NIPPON SODA CO., LTD. (JP) 2017-02-09 US disclosed
US-9421274-B2 Bio-orthogonal drug activation KONINKLIJKE PHILIPS N.V. (NL) 2016-08-23 US disclosed
EP-2709666-A1 BIO-ORTHOGONAL DRUG ACTIVATION Koninklijke Philips N.V. (NL) 2014-03-26 EP disclosed
WO-2012156918-A1 BIO-ORTHOGONAL DRUG ACTIVATION KONINKLIJKE PHILIPS ELECTRONICS N.V. (NL) 2012-11-22 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-20170143840-A1 BIO-ORTHOGONAL DRUG ACTIVATION JMJD7, KIT, PAICS CYP3A4 337/4885CYP2C9 305/4885CYP2E1 1229/4885
US-20170035711-A1 PARASITE CONTROL AGENT FOR PARASITICIDE CTRL, RPL41, EPX CYP3A4 286/4885CYP2C9 220/4885CYP2E1 73/4885
US-10004810-B2 Bio-orthogonal drug activation JMJD7, KIT, PAICS CYP3A4 337/4885CYP2C9 305/4885CYP2E1 1229/4885

“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.