SCHEMBL2308014

SCHEMBL2308014

Fc1ccccc1C1NCCc2sccc21

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GID4 Q8IVV7 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
DRD3 P35462 1/20 0.43
HTR2A P28223 3/20 0.42
HTR2C P28335 3/20 0.42
PRCP P42785 2/20 0.40
LHCGR P22888 1/20 0.38
KDM1A O60341 2/20 0.36
KDM1B Q8NB78 1/20 0.36
GAA P10253 1/20 0.36
KEAP1 Q14145 1/20 0.34

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
SCHEMBL4344858 0.81 GID4 (0.60) GID4L3MBTL1DRD3HTR2CPRCP
SCHEMBL2358588 0.78 GID4 (0.54) GID4L3MBTL1MEN1KMT2ADRD3
SCHEMBL20912496 0.78 MEN1 (0.50) GID4L3MBTL1MEN1KMT2AHTR2A
SCHEMBL20912502 0.78 GID4 (0.71) GID4L3MBTL1MEN1KMT2ADRD3
SCHEMBL20912489 0.78 GID4 (0.71) GID4L3MBTL1MEN1KMT2ADRD3
SCHEMBL2359018 0.78 GID4 (0.71) GID4L3MBTL1MEN1KMT2ADRD3
SCHEMBL12761088 0.77 GID4 (0.52) GID4L3MBTL1KMT2ADRD3PRCP
SCHEMBL27928028 0.76 PRCP (0.65) GID4MEN1KMT2AHTR2AHTR2C
SCHEMBL4339308 0.75 GID4 (0.71) GID4L3MBTL1DRD3HTR2AHTR2C
SCHEMBL4344078 0.74 GID4 (0.70) GID4L3MBTL1DRD3HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200062776-A1 HEDGEHOG ACYLTRANSFERASE INHIBITORS AND USES THEREOF MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2020-02-27 US disclosed
US-20200062776-A1 HEDGEHOG ACYLTRANSFERASE INHIBITORS AND USES THEREOF MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2020-02-27 US disclosed
EP-3471723-A1 HEDGEHOG ACYLTRANSFERASE INHIBITORS AND USES THEREOF Memorial Sloan Kettering Cancer Center (US) 2019-04-24 EP disclosed
EP-2350093-B1 SUBSTITUTED 4,5,6,7-TETRAHYDROTHIENOPYRIDINES AS KCNQ2/3 MODULATORS FOR TREATING PAIN, EPILEPSY AND URINARY INCONTINENCE GRUENENTHAL GMBH (DE) 2012-10-03 EP disclosed
EP-2350093-A1 SUBSTITUTED 4,5,6,7-TETRAHYDROTHIENOPYRIDINES AS KCNQ2/3 MODULATORS FOR TREATING PAIN, EPILEPSY AND URINARY INCONTINENCE Grünenthal GmbH (DE) 2011-08-03 EP disclosed
WO-2010046108-A1 SUBSTITUTED 4,5,6,7-TETRAHYDROTHIENOPYRIDINES AS KCNQ2/3 MODULATORS FOR TREATING PAIN, EPILEPSY AND URINARY INCONTINENCE Grünenthal GmbH (DE) 2010-04-29 WO disclosed
US-20100105722-A1 Substituted 4,5,6,7-tetrahydrothienopyridines as KCNQ2/3 Modulators GRUENENTHAL GMBH (DE) 2010-04-29 US 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-20200062776-A1 HEDGEHOG ACYLTRANSFERASE INHIBITORS AND USES THEREOF HHAT, SHH, MBOAT1 GID4 1725/4885L3MBTL1 417/4885MEN1 2972/4885
US-20100105722-A1 Substituted 4,5,6,7-tetrahydrothienopyridines as KCNQ2/3 Modulators KCNQ1, KCNQ3, KCNQ2 GID4 2166/4885L3MBTL1 2790/4885MEN1 1348/4885

“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.