SCHEMBL18894107

SCHEMBL18894107

N#Cc1cc(Cl)cc(F)c1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VCAM1 P19320 5/20 0.47
▸ TSHR P16473 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ GRIN2D O15399 1/20 0.36
▸ GRIN3B O60391 1/20 0.36
▸ GRIN1 Q05586 1/20 0.36
▸ GRIN2A Q12879 1/20 0.36
▸ GRIN2B Q13224 1/20 0.36
▸ GRIN2C Q14957 1/20 0.36
▸ GRIN3A Q8TCU5 1/20 0.36
▸ GRIA1 P42261 2/20 0.35
▸ GRIA2 P42262 2/20 0.35
▸ GRIA3 P42263 2/20 0.35
▸ GRIA4 P48058 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ GRM6 O15303 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ XDH P47989 1/20 0.35
▸ KHK P50053 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
SCHEMBL31321220 1.00 VCAM1 (0.47) VCAM1TSHRALDH1A1GRIN2DGRIN3B
SCHEMBL56482 0.82 VCAM1 (0.41) VCAM1ALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL26790702 0.81 ALDH1A1 (0.60) VCAM1TSHRALDH1A1GRIN2DGRIN3B
SCHEMBL25252333 0.79 GPR35 (0.41) VCAM1ALDH1A1GRIN2DGRIN3BGRIN1
Potassium Ion SCHEMBL5156009 0.79 GRIN2D (0.39) VCAM1ALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL23137518 0.78 VCAM1 (0.46) VCAM1TSHRALDH1A1GRIN2DGRIN3B
SCHEMBL23118050 0.76 VCAM1 (0.60) VCAM1TSHRALDH1A1GRIA1GRIA2
SCHEMBL31374260 0.76 VCAM1 (0.60) VCAM1TSHRALDH1A1GRIA1GRIA2
SCHEMBL5872583 0.76 ALDH1A1 (0.72) VCAM1TSHRALDH1A1GRIN2DGRIN3B
SCHEMBL9705273 0.75 VCAM1 (0.41) VCAM1ALDH1A1GRIN2DGRIN3BGRIN1

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
WO-2025010314-A1 UREA-CONTAINING AGONISTS OF OREXIN RECEPTOR TYPE 2 VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-01-09 — — WO disclosed
US-11136310-B2 Iminotetrahydropyrimidinone derivatives as plasmepsin V inhibitors UCB Biopharma SRL (BE) 2021-10-05 — — US disclosed
CN-108290860-B Iminotetrahydropyrimidinone derivatives as PLASMEPSIN V inhibitors UCB生物制药有限责任公司 2021-08-10 — — CN disclosed
US-20200283416-A1 IMINOTETRAHYDROPYRIMIDINONE DERIVATIVES AS PLASMEPSIN V INHIBITORS CELLTECH R&D LIMITED (GB) 2020-09-10 — — US disclosed
EP-3380464-B1 IMINOTETRAHYDROPYRIMIDINONE DERIVATIVES AS PLASMEPSIN V INHIBITORS UCB Biopharma SRL (BE) 2020-05-27 — — EP disclosed
EP-3380464-A1 IMINOTETRAHYDROPYRIMIDINONE DERIVATIVES AS PLASMEPSIN V INHIBITORS UCB Biopharma SPRL (BE) 2018-10-03 — — EP disclosed
WO-2017089453-A1 IMINOTETRAHYDROPYRIMIDINONE DERIVATIVES AS PLASMEPSIN V INHIBITORS UCB BIOPHARMA SPRL (BE) 2017-06-01 — — 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 (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-20200283416-A1 IMINOTETRAHYDROPYRIMIDINONE DERIVATIVES AS PLASMEPSIN V INHIBITORS PEPD, ADAM17, ANPEP VCAM1 1263/4885TSHR 4748/4885ALDH1A1 3365/4885
US-11136310-B2 Iminotetrahydropyrimidinone derivatives as plasmepsin V inhibitors PEPD, ADAM17, ANPEP VCAM1 1263/4885TSHR 4748/4885ALDH1A1 3365/4885

“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.

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