SCHEMBL7721135

SCHEMBL7721135

CC(C)n1cnc2cc(F)ccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.58
RAB9A P51151 7/20 0.49
NPC1 O15118 6/20 0.49
KDM4E B2RXH2 5/20 0.49
SMN1; SMN2 Q16637 5/20 0.47
ALDH1A1 P00352 4/20 0.47
GAA P10253 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
GFER P55789 3/20 0.46
MAPT P10636 3/20 0.45
HPGD P15428 3/20 0.45
TP53 P04637 2/20 0.44
HSD17B10 Q99714 2/20 0.44
MAPK14 Q16539 2/20 0.44
IDE P14735 1/20 0.44
MAPK13 O15264 1/20 0.44
MAPK12 P53778 1/20 0.44
MAPK11 Q15759 1/20 0.44
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL30914208 1.00 HCAR3 (0.58) HCAR3RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL15723611 0.86 HCAR3 (0.46) HCAR3RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL19848179 0.83 HCAR3 (0.42) HCAR3RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL6176252 0.82 HCAR3 (0.44) HCAR3RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL14762774 0.81 HCAR3 (0.40) HCAR3RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL11396992 0.80 RAB9A (0.61) HCAR3RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL12730480 0.79 HCAR3 (0.62) HCAR3RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL11320559 0.79 HCAR3 (0.58) HCAR3RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL20665086 0.79 HCAR3 (0.58) HCAR3RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL7031069 0.79 HCAR3 (0.58) HCAR3RAB9ANPC1KDM4ESMN1; 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108947911-B Benzimidazole compound with anti-hepatitis B virus activity and antibacterial activity and synthesis method and application thereof 中山大学 2022-02-22 CN disclosed
US-20200339543-A1 AGRICULTURAL CHEMICALS GLOBACHEM NV (BE) 2020-10-29 US disclosed
EP-3467930-B1 NONAQUEOUS ELECTROLYTE AND NONAQUEOUS SECONDARY BATTERY ASAHI CHEMICAL IND (JP) 2020-05-13 EP disclosed
EP-3467930-A1 NONAQUEOUS ELECTROLYTE AND NONAQUEOUS SECONDARY BATTERY ASAHI KASEI KABUSHIKI KAISHA (JP) 2019-04-10 EP disclosed
US-20180062213-A1 Nonaqueous Electrolyte and Nonaqueous Secondary Battery ASAHI KASEI KABUSHIKI KAISHA (JP) 2018-03-01 US disclosed
EP-3279997-A1 NONAQUEOUS ELECTROLYTE AND NONAQUEOUS SECONDARY BATTERY Asahi Kasei Kabushiki Kaisha (JP) 2018-02-07 EP disclosed
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-08-03 US disclosed
US-9630947-B2 Therapeutic compounds and related methods of use OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-04-25 US disclosed
US-20150307477-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE GALENEA CORPORATION 2015-10-29 US disclosed
US-9073890-B2 Therapeutic compounds and related methods of use OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-07-07 US disclosed
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL COMPANY (JP) 2013-02-28 US disclosed
US-6875765-B2 Arylsulfonamide ethers, and methods of use thereof WARNER-LAMBERT COMPANY (US) 2005-04-05 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 (5 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-20200339543-A1 AGRICULTURAL CHEMICALS ABAT, BRDT, GABBR1 HCAR3 768/4885RAB9A 4791/4885NPC1 4015/4885
US-20150307477-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA HCAR3 1848/4885RAB9A 1231/4885NPC1 2700/4885
US-20180062213-A1 Nonaqueous Electrolyte and Nonaqueous Secondary Battery BPTF, BRD4, KCNN2 HCAR3 4636/4885RAB9A 3611/4885NPC1 2529/4885
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PPP3CB, PTPRG HCAR3 2588/4885RAB9A 1248/4885NPC1 2982/4885
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA HCAR3 1848/4885RAB9A 1231/4885NPC1 2700/4885

“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.