SCHEMBL256204

SCHEMBL256204

Nc1cc(OC(F)(F)F)ccc1I

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 5/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
GMNN O75496 1/20 0.44
USP2 O75604 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
GAA P10253 1/20 0.44
CYP2C9 P11712 1/20 0.44
PKM P14618 1/20 0.44
ALOX15 P16050 1/20 0.44
NFKB1 P19838 1/20 0.44
SLC6A2 P23975 1/20 0.44
SCN4A P35499 1/20 0.44
BLM P54132 1/20 0.44
PMP22 Q01453 1/20 0.44
SLC6A3 Q01959 1/20 0.44

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
SCHEMBL30053951 0.84 GPR3 (0.44) GPR3NPC1RAB9AGMNNUSP2
SCHEMBL462815 0.84 GPR3 (0.44) GPR3NPC1RAB9AGMNNUSP2
SCHEMBL29546263 0.81 NR4A1 (0.56) GPR3NPC1RAB9AGMNNUSP2
SCHEMBL442684 0.81 NR4A1 (0.56) GPR3NPC1RAB9AGMNNUSP2
SCHEMBL22714098 0.81 GPR3 (0.48) GPR3NPC1RAB9AGMNNUSP2
Hydrochloric Acid SCHEMBL9526864 0.79 NR4A1 (0.54) GPR3NPC1RAB9AGMNNUSP2
SCHEMBL30459994 0.78 GPR3 (0.46) GPR3NPC1RAB9AGMNNUSP2
SCHEMBL30628388 0.78 GPR3 (0.46) GPR3NPC1RAB9AGMNNUSP2
SCHEMBL17420607 0.78 GPR3 (0.46) GPR3NPC1RAB9AGMNNUSP2
SCHEMBL1275899 0.78 GPR3 (0.46) GPR3NPC1RAB9AGMNNUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230066771-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC (US) 2023-03-02 US disclosed
US-20210130293-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC (US) 2021-05-06 US disclosed
EP-3636643-A1 NUCLEAR RECEPTOR MODULATORS (ROR) FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES AbbVie Inc. (US) 2020-04-15 EP disclosed
US-20190055196-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC (US) 2019-02-21 US disclosed
US-10106501-B2 Nuclear receptor modulators ABBVIE INC. (US) 2018-10-23 US disclosed
EP-3307734-A1 NUCLEAR RECEPTOR MODULATORS AbbVie Inc. (US) 2018-04-18 EP disclosed
US-20160362370-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC. (US) 2016-12-15 US disclosed
WO-2016200851-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC. (US) 2016-12-15 WO disclosed
WO-2012028676-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-08 WO disclosed
CN-101505762-A Orally active purinyl inhibitors of heat shock protein 90 CONFORMA THERAPEUTICS CORP (US) 2009-08-12 CN disclosed
EP-1962863-A2 ORALLY ACTIVE PURINE-BASED INHIBITORS OF HEAT SHOCK PROTEIN 90 Conforma Therapeutics Corporation (US) 2008-09-03 EP disclosed
WO-2007075572-A2 ORALLY ACTIVE PURINE-BASED INHIBITORS OF HEAT SHOCK PROTEIN 90 CONFORMA THERAPEUTICS CORPORATION (US) 2007-07-05 WO disclosed
US-20070129334-A1 Orally Active Purine-Based Inhibitors of Heat Shock Protein 90 CONFORMA THERAPEUTICS CORPORATION (US) 2007-06-07 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 (6 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-20160362370-A1 NUCLEAR RECEPTOR MODULATORS NR1I2, NR1H2, NR5A2 GPR3 149/4885NPC1 346/4885RAB9A 4439/4885
US-20070129334-A1 Orally Active Purine-Based Inhibitors of Heat Shock Protein 90 HSP90AB1, HSP90AA1, HSP90AB2P GPR3 3615/4885NPC1 1532/4885RAB9A 2657/4885
US-10106501-B2 Nuclear receptor modulators NR1I2, NR1H2, NR5A2 GPR3 149/4885NPC1 346/4885RAB9A 4439/4885
US-20210130293-A1 NUCLEAR RECEPTOR MODULATORS NR1I2, NR1H2, NR5A2 GPR3 149/4885NPC1 346/4885RAB9A 4439/4885
US-20230066771-A1 NUCLEAR RECEPTOR MODULATORS NR1I2, NR1H2, NR5A2 GPR3 149/4885NPC1 346/4885RAB9A 4439/4885
US-20190055196-A1 NUCLEAR RECEPTOR MODULATORS NR1I2, NR1H2, NR5A2 GPR3 149/4885NPC1 346/4885RAB9A 4439/4885

“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.