SCHEMBL1852275

SCHEMBL1852275

NC(=O)c1ccc2cc(-c3cccc([N+](=O)[O-])c3)cn2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.54
▸ NQO2 P16083 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ CES2 O00748 1/20 0.42
▸ CES1 P23141 1/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ GAA P10253 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ PRSS1 P07477 1/20 0.42
▸ PRSS2 P07478 1/20 0.42
▸ PRSS3 P35030 1/20 0.42
▸ TP53 P04637 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ CDC7 O00311 1/20 0.41
▸ MMP2 P08253 1/20 0.41

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
SCHEMBL1852731 0.84 P2RX7 (0.46) HDAC2CES2CES1ALDH1A1GAA
SCHEMBL27889371 0.80 TSHR (0.68) TSHRNQO2HDAC2CES2CES1
SCHEMBL1848640 0.79 ALDH1A1 (0.40) NQO2CES2CES1ALDH1A1GAA
SCHEMBL28245589 0.78 TSHR (0.81) TSHRHDAC2CES2CES1ALDH1A1
SCHEMBL894417 0.71 TSHR (1.00) TSHRCES2CES1ALDH1A1KDM4E
SCHEMBL29848105 0.71 TSHR (1.00) TSHRCES2CES1ALDH1A1KDM4E
SCHEMBL7172994 0.71 POLB (0.45) ALDH1A1MAPTL3MBTL1LMNACYP3A4
SCHEMBL6738366 0.71 TSHR (0.76) TSHRCES2CES1ALDH1A1GAA
SCHEMBL7171510 0.70 MAPT (0.60) TSHRALDH1A1GAAMAPTLMNA
SCHEMBL27993657 0.70 HPGDS (0.63) TSHRNQO2CES2CES1ALDH1A1

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
US-8420052-B2 Imaging agents useful for identifying AD pathology SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2013-04-16 — — US disclosed
US-8420052-B2 Imaging agents useful for identifying AD pathology SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2013-04-16 — — US disclosed
US-8420052-B2 Imaging agents useful for identifying AD pathology SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2013-04-16 — — US disclosed
EP-2323697-A2 IMAGING AGENTS USEFUL FOR IDENTIFYING AD PATHOLOGY Siemens Medical Solutions USA, Inc. (US) 2011-05-25 — — EP disclosed
US-20100098634-A1 Imaging Agents Useful for Identifying AD Pathology SIEMENS MEDICAL SOLUTIONS USA, INC. 2010-04-22 — — US disclosed
US-20100098634-A1 Imaging Agents Useful for Identifying AD Pathology SIEMENS MEDICAL SOLUTIONS USA, INC. 2010-04-22 — — US disclosed
WO-2010011964-A2 IMAGING AGENTS USEFUL FOR IDENTIFYING AD PATHOLOGY SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-01-28 — — 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 (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-20100098634-A1 Imaging Agents Useful for Identifying AD Pathology APP, APBA1, PYGB TSHR 4804/4885NQO2 2095/4885HDAC2 4421/4885

“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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