SCHEMBL6890776

SCHEMBL6890776

N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Oc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ MMP2 P08253 1/20 0.50
▸ MC4R P32245 1/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ MAPT P10636 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ MGLL Q99685 1/20 0.46
▸ HTR2A P28223 1/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ ALOX5 P09917 1/20 0.46
▸ ANPEP P15144 1/20 0.46
▸ ERAP2 Q6P179 1/20 0.46
▸ ERAP1 Q9NZ08 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ TP53 P04637 1/20 0.45
▸ MAOA P21397 1/20 0.44
▸ MAOB P27338 1/20 0.44

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
Hydrochloric Acid SCHEMBL6890771 0.99 MC4R (0.49) MEN1KMT2AMMP2MC4RSMN1; SMN2
SCHEMBL1715459 0.95 MMP2 (0.53) MEN1KMT2AMMP2MC4RSMN1; SMN2
SCHEMBL4696038 0.95 MMP2 (0.53) MEN1KMT2AMMP2MC4RSMN1; SMN2
SCHEMBL31143746 0.95 MMP2 (0.53) MEN1KMT2AMMP2MC4RSMN1; SMN2
Hydrochloric Acid SCHEMBL11326574 0.93 MMP2 (0.52) MEN1KMT2AMMP2MC4RSMN1; SMN2
Bromide SCHEMBL27618550 0.93 MMP2 (0.52) MEN1KMT2AMMP2MC4RSMN1; SMN2
Bromide SCHEMBL27618551 0.93 MMP2 (0.52) MEN1KMT2AMMP2MC4RSMN1; SMN2
SCHEMBL8933432 0.88 MMP2 (0.54) KMT2AMMP2HTR2AALDH1A1MAOB
SCHEMBL6559349 0.88 MMP2 (0.54) KMT2AMMP2HTR2AALDH1A1MAOB
SCHEMBL9052704 0.88 MMP2 (0.54) KMT2AMMP2HTR2AALDH1A1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6730784-B2 AS THERAPEUTIC AGENTS FOR AUTOIMMUNE DISEASES SUCH AS RHEUMATOID ARTHRITIS SANTEN PHARMACEUTICAL CO., LTD. (JP) 2004-05-04 — — US disclosed
US-20020198376-A1 Novel urea derivatives SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-12-26 — — US disclosed
US-6492370-B1 Urea derivatives and pharmaceutical compositions thereof SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-12-10 — — 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-20020198376-A1 Novel urea derivatives TNF, CTH, CFH MEN1 4882/4885KMT2A 4759/4885MMP2 3359/4885

“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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