SCHEMBL4494414

SCHEMBL4494414

O=[N+]([O-])c1cccc(F)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
TSHR P16473 2/20 0.38
TDP1 Q9NUW8 4/20 0.37
ALDH1A1 P00352 7/20 0.36
PDE10A Q9Y233 1/20 0.36
GPR35 Q9HC97 1/20 0.35
SOS1 Q07889 1/20 0.35
MAPT P10636 4/20 0.34
CYP1A2 P05177 3/20 0.34
KDM4E B2RXH2 2/20 0.34
CYP2C19 P33261 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CYP3A4 P08684 1/20 0.34
THRB P10828 1/20 0.34
HPGD P15428 1/20 0.34
APEX1 P27695 1/20 0.34
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34

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
SCHEMBL3294386 0.84 TSHR (0.46) LMNATSHRTDP1ALDH1A1PDE10A
SCHEMBL3144065 0.77 LMNA (0.41) LMNATSHRTDP1ALDH1A1PDE10A
SCHEMBL12481395 0.75 F7 (0.39) LMNATSHRTDP1ALDH1A1PDE10A
SCHEMBL16289365 0.74 LMNA (0.38) LMNATSHRTDP1ALDH1A1PDE10A
SCHEMBL873623 0.74 TSHR (0.43) LMNATSHRTDP1ALDH1A1PDE10A
SCHEMBL3865531 0.74 GPR35 (0.45) LMNATSHRTDP1ALDH1A1PDE10A
SCHEMBL31052632 0.74 NOS3 (0.41) LMNATSHRTDP1ALDH1A1PDE10A
SCHEMBL188183 0.74 TSHR (0.38) LMNATSHRTDP1ALDH1A1PDE10A
SCHEMBL18387601 0.74 LMNA (0.38) LMNATSHRTDP1ALDH1A1PDE10A
SCHEMBL31511551 0.74 TSHR (0.38) LMNATSHRTDP1ALDH1A1PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118108723-A Triazolobenzodiazepine compound and preparation method and application thereof 暨南大学附属第一医院(广州华侨医院) 2024-05-31 CN claimed
WO-2026098560-A2 BENZENE-CONTAINING POLYCYCLIC DERIVATIVE MODULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF 上海翰森生物医药科技有限公司 2026-05-15 WO disclosed
EP-4652159-A1 INHIBITORS OF KIF18A AND USES THEREOF Insilico Medicine IP Limited (HK) 2025-11-26 EP disclosed
US-20250340569-A1 INHIBITORS OF KIF18A AND USES THEREOF INSILICO MEDICINE IP LTD (CN) 2025-11-06 US disclosed
WO-2024153217-A1 INHIBITORS OF KIF18A AND USES THEREOF INSILICO MEDICINE IP LIMITED (CN) 2024-07-25 WO disclosed
CN-118108723-A Triazolobenzodiazepine compound and preparation method and application thereof 暨南大学附属第一医院(广州华侨医院) 2024-05-31 CN disclosed
WO-2021145401-A1 SPIROHETEROCYCLIC DERIVATIVES AS CRHR2 ANTAGONIST RAQUALIA PHARMA INC. (JP) 2021-07-22 WO disclosed
EP-1626958-B1 (PIPERIDINYLOXY)PHENYL, (PIPERIDINYLOXY)PYRIDINYL, (PIPERIDINYLSULFANYL)PHENYL AND (PIPERIDINYLSULFANYL)PYRIDINYL COMPOUNDS AS 5-HT 1F AGONISTS LILLY CO ELI (US) 2012-06-27 EP disclosed
US-7608629-B2 (Piperidinyloxy)phenyl, (piperidinyloxy)pyridinyl, (piperidinylsulfanyl)phenyl and (piperidinylsulfanyl)pyridinyl compounds as 5-HT1F agonists ELI LILLY AND COMPANY (US) 2009-10-27 US disclosed
US-20060211734-A1 (Piperidinyloxy)phenyl, (piperidinyloxy)pyridinyl, (piperidinylsulfanyl)phenyl and (piperidinylsulfanyl)pyridinyl compounds as 5-ht1f agonists ELILILLY AND COMPANY (US) 2006-09-21 US disclosed
CN-1777584-A As 5-HT1F(Piperidyloxy) phenyl, (peridyloxy) pyridyl, (peridylthio) phenyl and (peridylthio) pyridyl compounds of agonists LILLY CO ELI (US) 2006-05-24 CN disclosed
EP-1626958-A1 (PIPERIDINYLOXY)PHENYL, (PIPERIDINYLOXY)PYRIDINYL, (PIPERIDINYLSULFANYL)PHENYL AND (PIPERIDINYLSULFANYL)PYRIDINYL COMPOUNDS AS 5-HT 1F AGONISTS ELI LILLY AND COMPANY (US) 2006-02-22 EP disclosed
WO-2004094380-A1 (PIPERIDINYLOXY)PHENYL, (PIPERIDINYLOXY)PYRIDINYL, (PIPERIDINYLSULFANYL)PHENYL AND (PIPERIDINYLSULFANYL)PYRIDINYL COMPOUNDS AS 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 2004-11-04 WO disclosed
EP-0136646-B1 PROCESS FOR THE PREPARATION OF 5-FLUOR-4H-3,1-BENZOXAZIN-4-ONES BASF Aktiengesellschaft (DE) 1989-01-25 EP disclosed
US-4562254-A Preparation of 5-fluoro-2-phenyl-4H-3,1-benzoxazin-4-ones BASF AKTIENGESELLSCHAFT (DE) 1985-12-31 US disclosed
EP-0136646-A2 Process for the preparation of 5-fluor-4H-3,1-benzoxazin-4-ones BASF Aktiengesellschaft (DE) 1985-04-10 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-20250340569-A1 INHIBITORS OF KIF18A AND USES THEREOF KIF18A, KIF18B, KIF2C LMNA 1810/4885TSHR 4396/4885TDP1 213/4885
US-20060211734-A1 (Piperidinyloxy)phenyl, (piperidinyloxy)pyridinyl, (piperidinylsulfanyl)phenyl and (piperidinylsulfanyl)pyridinyl compounds as 5-ht1f agonists HTR1A, HTR1F, HTR5A LMNA 787/4885TSHR 1720/4885TDP1 3415/4885

“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.