SCHEMBL3633712

SCHEMBL3633712

CC(C)Nc1cccc(Cl)c1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 3/20 0.45
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
NFKB1 P19838 1/20 0.38
PNMT P11086 1/20 0.38
ALDH1A1 P00352 4/20 0.38
CXCL8 P10145 2/20 0.37
LMNA P02545 3/20 0.37
GLA P06280 1/20 0.37
EGFR P00533 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
IDO1 P14902 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
TSHR P16473 1/20 0.33
MAPK14 Q16539 1/20 0.33

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
SCHEMBL21247464 0.85 TDP1 (0.42) NR4A2CYP3A4ALDH1A1LMNATDP1
SCHEMBL30039012 0.79 CD44 (0.43) NR4A2CYP1A2CYP3A4CYP2D6ALDH1A1
SCHEMBL8165575 0.79 NR4A2 (0.47) NR4A2CYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL3228979 0.79 TDP1 (0.46) NR4A2CYP1A2CYP3A4ALDH1A1CXCL8
SCHEMBL3635789 0.78 CD44 (0.46) NR4A2CYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL14017791 0.78 NR4A2 (0.50) NR4A2CYP1A2CYP3A4ALDH1A1LMNA
SCHEMBL394341 0.77 ALDH1A1 (0.41) NR4A2CYP1A2ALDH1A1LMNAEGFR
Ammonia Solution, Strong SCHEMBL3225266 0.77 NR4A2 (0.45) NR4A2CYP1A2CYP3A4ALDH1A1LMNA
SCHEMBL1654361 0.76 EGFR (0.36) NR4A2CYP3A4ALDH1A1LMNAEGFR
SCHEMBL20655521 0.76 NR4A2 (0.45) NR4A2CYP1A2CYP3A4CYP2D6NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240059680-A1 N-(2,3-DIHYDRO-1,4-BENZOXAZIN-4-YL)-3-ISOPROPYL-7-(2,3,5-TRIFLUOROPHENYL)BENZO-THIOPHENE-2-CARBOXAMIDE DERIVATIVES AND SIMILAR COMPOUNDS FOR THE TREATMENT OF HEARTWORM INFECTIONS ELANCO TIERGESUNDHEIT AG (CH) 2024-02-22 US disclosed
CN-116685584-A N- (2, 3-dihydro-1, 4-benzoxazin-4-yl) -3-isopropyl-7- (2, 3, 5-trifluorophenyl) benzothiophene-2-carboxamide derivatives and similar compounds for the treatment of heartworm infections 礼蓝动物保健有限公司 2023-09-01 CN disclosed
WO-2022106469-A2 N-(2,3-DIHYDRO-1,4-BENZOXAZIN-4-YL)-3-ISOPROPYL-7-(2,3,5-TRIFLUOROPHENYL)BENZO-THIOPHENE-2-CARBOXAMIDE DERIVATIVES AND SIMILAR COMPOUNDS FOR THE TREATMENT OF HEARTWORM INFECTIONS ELANCO TIERGESUNDHEIT AG (CH) 2022-05-27 WO disclosed
US-20110081315-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-04-07 US disclosed
US-20110081315-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-04-07 US disclosed
EP-2146969-A1 NICOTINIC ACID DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 Novartis Ag (CH) 2010-01-27 EP disclosed
US-20090105266-A1 Organic compounds NOVARTIS AG (CH) 2009-04-23 US disclosed
WO-2008128968-A1 NICOTINIC ACID DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 NOVARTIS AG (CH) 2008-10-30 WO 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 (3 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-20090105266-A1 Organic compounds SLCO2B1, SLCO1B1, SLCO1B3 NR4A2 1668/4885CYP1A2 24/4885CYP3A4 5/4885
US-20240059680-A1 N-(2,3-DIHYDRO-1,4-BENZOXAZIN-4-YL)-3-ISOPROPYL-7-(2,3,5-TRIFLUOROPHENYL)BENZO-THIOPHENE-2-CARBOXAMIDE DERIVATIVES AND SIMILAR COMPOUNDS FOR THE TREATMENT OF HEARTWORM INFECTIONS TNNT2, TNNI3, SIRT5 NR4A2 162/4885CYP1A2 127/4885CYP3A4 494/4885
US-20110081315-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, EIF4A2 NR4A2 2336/4885CYP1A2 701/4885CYP3A4 681/4885

“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.