SCHEMBL444030

SCHEMBL444030

N#CC(F)c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.46
HIF1A Q16665 4/20 0.46
MAPK1 P28482 3/20 0.46
TDP1 Q9NUW8 3/20 0.46
ALDH1A1 P00352 5/20 0.43
L3MBTL1 Q9Y468 3/20 0.42
LMNA P02545 3/20 0.39
HPGD P15428 2/20 0.39
TP53 P04637 1/20 0.39
ADRB2 P07550 1/20 0.39
MAPT P10636 3/20 0.39
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
ATM Q13315 2/20 0.38
CYP2A6 P11509 1/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GAA P10253 2/20 0.38

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
SCHEMBL7958219 0.78 LMNA (0.47) TDP1ALDH1A1LMNAHPGDTP53
SCHEMBL19946014 0.76 ESR1 (0.60) HIF1ATDP1ALDH1A1LMNAHPGD
SCHEMBL27961334 0.76 CYP2A6 (0.38) MAPK1ALDH1A1HPGDMAPTCYP2A6
SCHEMBL3984010 0.76 CHRNA7 (0.44) TDP1ALDH1A1L3MBTL1LMNAMAPT
SCHEMBL1323137 0.75 TSHR (0.52) TSHRALDH1A1L3MBTL1LMNAHPGD
SCHEMBL10159567 0.75 TSHR (0.52) TSHRALDH1A1L3MBTL1LMNAHPGD
SCHEMBL7825067 0.75 ALDH1A1 (0.60) TSHRHIF1AMAPK1TDP1ALDH1A1
SCHEMBL5071435 0.75 ALDH1A1 (0.46) TSHRHIF1AMAPK1TDP1ALDH1A1
SCHEMBL4563754 0.74 GAA (0.44) TSHRTDP1ALDH1A1L3MBTL1LMNA
SCHEMBL25341159 0.74 ALDH1A1 (0.39) TSHRHIF1AMAPK1TDP1ALDH1A1

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
CN-110885319-B Sulfonamide compounds as sodium channel blockers and uses thereof 成都康弘药业集团股份有限公司 2022-08-12 CN disclosed
WO-2020052509-A1 SULFONAMIDE COMPOUND SERVING AS SODIUM CHANNEL BLOCKER AND USES THEREOF 成都康弘药业集团股份有限公司 2020-03-19 WO disclosed
CN-110885319-A Sulfonamide compounds as sodium channel blockers and uses thereof 成都康弘药业集团股份有限公司 2020-03-17 CN disclosed
CN-102548963-A Novel N-substituted-pyrrolidines as inhibitors of MDM2-p53 interactions HOFFMANN LA ROCHE 2012-07-04 CN disclosed
WO-2012034954-A1 SUBSTITUTED HEXAHYDROPYRROLO [1, 2 - C] IMIDAZOLONES USEFUL AS MDM2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-03-22 WO disclosed
US-20120065210-A1 SUBSTITUTED HEXAHYDROPYRROLO[1,2-C]IMIDAZOLONES CHU XIN-JIE (US) 2012-03-15 US disclosed
US-4369322-A WITH CYANOGEN CHLORIDE DEGUSSA AG (DE) 1983-01-18 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 (1 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-20120065210-A1 SUBSTITUTED HEXAHYDROPYRROLO[1,2-C]IMIDAZOLONES H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, DPYD, HK1 TSHR 2088/4885HIF1A 2429/4885MAPK1 115/4885

“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.