SCHEMBL1653790

SCHEMBL1653790

N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Oc1cccc([N+](=O)[O-])c1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.53
▸ LMNA P02545 3/20 0.53
▸ KDM4E B2RXH2 3/20 0.53
▸ MEN1 O00255 3/20 0.53
▸ MAPT P10636 3/20 0.53
▸ MPO P05164 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ BLM P54132 1/20 0.53
▸ PMP22 Q01453 1/20 0.53
▸ HIF1A Q16665 1/20 0.53
▸ TACR1 P25103 2/20 0.50
▸ PTPRA P18433 1/20 0.46
▸ CDK2 P24941 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ CYP2C19 P33261 1/20 0.44
▸ DNMT1 P26358 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.43

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
SCHEMBL9540559 0.82 TACR1 (0.61) KMT2ALMNAKDM4EMEN1MAPT
Ammonia Solution, Strong SCHEMBL5385746 0.81 KMT2A (0.52) KMT2ALMNAKDM4EMEN1MAPT
SCHEMBL27744048 0.80 KMT2A (0.54) KMT2ALMNAKDM4EMEN1MAPT
SCHEMBL5970060 0.80 FAAH (0.61) KMT2ALMNAKDM4EMEN1MAPT
SCHEMBL5970050 0.80 FAAH (0.61) KMT2ALMNAKDM4EMEN1MAPT
SCHEMBL1981757 0.80 MAPT (0.68) KMT2ALMNAKDM4EMEN1MAPT
SCHEMBL8740387 0.80 KMT2A (0.53) KMT2ALMNAKDM4EMEN1MAPT
SCHEMBL18000223 0.79 MAPT (0.64) KMT2ALMNAKDM4EMEN1MAPT
SCHEMBL17859728 0.78 KMT2A (0.62) KMT2ALMNAKDM4EMEN1MAPT
SCHEMBL1653001 0.78 GPR35 (0.43) KMT2AKDM4EMEN1TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110092557-A1 Neuraminidase Inhibitors And Compositions And Methods Related Thereto INFLUMEDIX INC. (US) 2011-04-21 — — US claimed
US-20110092557-A1 Neuraminidase Inhibitors And Compositions And Methods Related Thereto INFLUMEDIX INC. (US) 2011-04-21 — — 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-20110092557-A1 Neuraminidase Inhibitors And Compositions And Methods Related Thereto NEU1, DAO, NEU3 KMT2A 1624/4885LMNA 1830/4885KDM4E 2909/4885

“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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