SCHEMBL416916

SCHEMBL416916

Cc1nn(-c2ccccc2)nc1C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.61
HPGD P15428 3/20 0.61
ADORA1 P30542 2/20 0.60
PKM P14618 2/20 0.60
ADORA3 P0DMS8 2/20 0.60
LMNA P02545 2/20 0.60
ADORA2A P29274 1/20 0.60
ADORA2B P29275 1/20 0.60
KAT2B Q92831 1/20 0.60
ALDH1A1 P00352 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
MAPK1 P28482 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
TSHR P16473 1/20 0.47
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
MAPT P10636 4/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45

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
Ammonia Solution, Strong SCHEMBL3507660 0.97 KDM4E (0.58) KDM4EHPGDADORA1PKMADORA3
SCHEMBL13523227 0.84 KDM4E (0.51) KDM4EHPGDADORA1PKMADORA3
SCHEMBL5285757 0.84 KDM4E (0.51) KDM4EHPGDADORA1PKMADORA3
SCHEMBL820842 0.83 KDM4E (0.50) KDM4EHPGDADORA1PKMADORA3
SCHEMBL18306187 0.83 KDM4E (0.50) KDM4EHPGDADORA1PKMADORA3
SCHEMBL2624396 0.81 KDM4E (0.49) KDM4EHPGDADORA1PKMADORA3
SCHEMBL11107966 0.81 APP (0.47) KDM4EHPGDADORA1PKMADORA3
SCHEMBL12713296 0.81 KDM4E (0.49) KDM4EHPGDADORA1PKMADORA3
SCHEMBL27794740 0.81 KDM4E (0.49) KDM4EHPGDADORA1PKMADORA3
SCHEMBL2362316 0.80 KDM4E (0.51) KDM4EHPGDADORA1PKMADORA3

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 90 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007001335-A2 RAMOPLANIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2007-01-04 WO claimed
US-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS INC. (US) 2006-09-21 US claimed
US-5646198-A MIXTURE INCLUDES POLYMER, BENZOTRIAZOLE OR TRIAZOLE COMPOUND, AND COMPOUND WITH HYDROPHOBIC AND HYDROPHILIC PARTS; STORAGE STABILITY; MARINE STRUCTURES HITACHI CHEMICAL COMPANY, LTD. (JP) 1997-07-08 US claimed
WO-2018102358-A1 METHODS OF TREATING OR PREVENTING COGNITIVE IMPAIRMENT USING INDANE ACETIC ACID DERIVATIVES BASED ON APOE4 GENOTYPE T3D THERAPEUTICS, INC. (US) 2018-06-07 WO disclosed
WO-2018102399-A1 METHODS OF DOSE ADMINISTRATION FOR TREATING OR PREVENTING COGNITIVE IMPAIRMENT USING INDANE ACETIC ACID DERIVATIVES T3D THERAPEUTICS, INC. (US) 2018-06-07 WO disclosed
EP-2802326-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-04-18 EP disclosed
EP-3154973-B1 TRICYCLIC COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2018-03-21 EP disclosed
US-9770439-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-26 US disclosed
US-9708323-B2 Tricyclic compounds as alpha-7 nicotinic acetylcholine receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2017-07-18 US disclosed
EP-1781661-B1 VASOPRESSIN V1A ANTAGONISTS VANTIA LTD (GB) 2017-06-07 EP disclosed
US-20170137425-A1 TRICYCLIC COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2017-05-18 US disclosed
EP-0608131-B1 Resin composition and antifouling paint HITACHI CHEMICAL CO LTD (JP) 1998-06-17 EP disclosed
EP-0608132-B1 Coating varnish composition and antifouling coating composition HITACHI CHEMICAL CO LTD (JP) 1998-05-20 EP disclosed
US-5646198-A MIXTURE INCLUDES POLYMER, BENZOTRIAZOLE OR TRIAZOLE COMPOUND, AND COMPOUND WITH HYDROPHOBIC AND HYDROPHILIC PARTS; STORAGE STABILITY; MARINE STRUCTURES HITACHI CHEMICAL COMPANY, LTD. (JP) 1997-07-08 US disclosed
EP-0711813-A2 Coating varnish composition and antifouling coating composition Hitachi Chemical Co., Ltd. (JP) 1996-05-15 EP disclosed
US-5439511-A Composition containing polymer obtained by polymerizing unsaturated acid anhydride and another unsaturated compound, specified additive HITACHI CHEMICAL COMPANY, LTD. (JP) 1995-08-08 US disclosed
US-5439512-A Contains a triazole, thiadiazole or benzotriazole derivative HITACHI CHEMICAL COMPANY, LTD. (JP) 1995-08-08 US disclosed
EP-0659848-A2 Coating composition and antifouling paint Hitachi Chemical Co., Ltd. (JP) 1995-06-28 EP disclosed
EP-0608131-A1 Resin composition and antifouling paint HITACHI CHEMICAL CO., LTD. (JP) 1994-07-27 EP disclosed
EP-0608132-A1 Coating varnish composition and antifouling coating composition HITACHI CHEMICAL CO., LTD. (JP) 1994-07-27 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 (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-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity CLSPN, LMAN2, RPN2 KDM4E 4305/4885HPGD 1825/4885ADORA1 4671/4885
US-20170137425-A1 TRICYCLIC COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA6, CHRNA5 KDM4E 4325/4885HPGD 1444/4885ADORA1 204/4885

“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.