SCHEMBL6793370

SCHEMBL6793370

COc1ncnc(OC)c1CBr

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.39
MAPT P10636 1/20 0.33
ALDH1A1 P00352 5/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
NPC1 O15118 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
RAB9A P51151 1/20 0.32
CYP1A1 P04798 1/20 0.30
CYP1B1 Q16678 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C19 P33261 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
SCHEMBL4218243 0.81 PDPK1 (0.32) PDPK1
SCHEMBL16591438 0.78 PDPK1 (0.41) PDPK1MAPTALDH1A1MEN1KMT2A
SCHEMBL6792619 0.73 AGXT (0.38) PDPK1MAPTALDH1A1MEN1KMT2A
SCHEMBL5649291 0.73 NOS2 (0.44) ALDH1A1SMN1; SMN2HPGD
SCHEMBL6794146 0.73 HPGD (0.42) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL4536423 0.72 PDPK1 (0.43) PDPK1MAPTALDH1A1MEN1KMT2A
SCHEMBL25463299 0.71 PDPK1 (0.36) PDPK1MAPTALDH1A1MEN1KMT2A
SCHEMBL22139947 0.70 PDPK1 (0.35) PDPK1MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL22139943 0.70 HSD17B10 (0.38) PDPK1MAPTALDH1A1LMNAHSD17B10
SCHEMBL19762502 0.70 PRKCQ (0.34) PDPK1KMT2ALMNAHSD17B10TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3523277-B1 SUBSTITUTED PYRROLIDINES AS CFTR MODULATORS ABBVIE OVERSEAS SARL (LU) 2021-06-30 EP disclosed
US-20190315687-A1 Substituted Pyrrolidines and Methods of Use ABBVIE S.Á.R.L. (LU) 2019-10-17 US disclosed
US-10399940-B2 Substituted pyrrolidines and methods of use ABBVIE S.Á.R.L. (LU) 2019-09-03 US disclosed
EP-3523277-A1 SUBSTITUTED PYRROLIDINES AS CFTR MODULATORS Abbvie S.a.r.l. (LU) 2019-08-14 EP disclosed
US-20180099932-A1 Substituted Pyrrolidines and Methods of Use GALAPAGOS NV (BE) 2018-04-12 US disclosed
WO-2018065921-A1 SUBSTITUTED PYRROLIDINES AS CFTR MODULATORS ABBVIE S.Á.R.L. (LU) 2018-04-12 WO disclosed
US-20090053137-A1 Chelating Conjugates Having a Substituted Aromatic Moiety and Derivatives Thereof SpecGx LLC 2009-02-26 US disclosed
US-20090053137-A1 Chelating Conjugates Having a Substituted Aromatic Moiety and Derivatives Thereof SpecGx LLC 2009-02-26 US disclosed
WO-2007106544-A2 CHELATING CONJUGATES HAVING A SUBSTITUTED AROMATIC MOIETY AND DERIVATIVES THEREOF MALLINCKRODT INC. (US) 2007-09-20 WO disclosed
US-20040116480-A1 Oxime ether compound and agricultural or horticultural bactericide NIPPON SODA CO., LTD. (JP) 2004-06-17 US disclosed
EP-1362850-A1 OXIME ETHER COMPOUND AND AGRICULTURAL OR HORTICULTURAL BACTERICIDE NIPPON SODA CO., LTD. (JP) 2003-11-19 EP 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 (4 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-20090053137-A1 Chelating Conjugates Having a Substituted Aromatic Moiety and Derivatives Thereof SLC30A5, SLC40A1, SLC46A1 PDPK1 4677/4885MAPT 1650/4885ALDH1A1 905/4885
US-20190315687-A1 Substituted Pyrrolidines and Methods of Use CFTR, PKD1, PKD2 PDPK1 2672/4885MAPT 4871/4885ALDH1A1 563/4885
US-10399940-B2 Substituted pyrrolidines and methods of use CFTR, PKD1, PKD2 PDPK1 2672/4885MAPT 4871/4885ALDH1A1 563/4885
US-20180099932-A1 Substituted Pyrrolidines and Methods of Use CFTR, PKD1, PKD2 PDPK1 2672/4885MAPT 4871/4885ALDH1A1 563/4885

“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.