SCHEMBL1848640

SCHEMBL1848640

CN(CCF)C(=O)c1ccc2cc(-c3cccc([N+](=O)[O-])c3)cn2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.40
▸ MMP2 P08253 1/20 0.39
▸ MMP9 P14780 1/20 0.39
▸ MMP8 P22894 1/20 0.39
▸ P2RX7 Q99572 2/20 0.39
▸ TNFSF11 O14788 2/20 0.38
▸ SIGMAR1 Q99720 1/20 0.37
▸ MAPT P10636 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ PKM P14618 1/20 0.35
▸ NQO2 P16083 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ PLG P00747 1/20 0.35
▸ PLAU P00749 1/20 0.35

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
SCHEMBL13412871 0.82 SLC6A7 (0.36) —
SCHEMBL1852275 0.79 TSHR (0.54) ALDH1A1MMP2MMP9MMP8MAPT
SCHEMBL1852731 0.78 P2RX7 (0.46) ALDH1A1MMP2MMP9MMP8P2RX7
SCHEMBL3933924 0.68 ALDH1A1 (0.56) ALDH1A1MAPTHTTRAB9AGAA
SCHEMBL4490919 0.66 ALDH1A1 (0.54) ALDH1A1MAPTHTTRAB9AKDM4E
SCHEMBL7171510 0.66 MAPT (0.60) ALDH1A1MMP2MMP9MMP8MAPT
SCHEMBL6336523 0.65 ALDH1A1 (0.52) ALDH1A1MAPTHTTRAB9AMEN1
SCHEMBL7172994 0.64 POLB (0.45) ALDH1A1MAPTHTTRAB9AL3MBTL1
SCHEMBL6738366 0.64 TSHR (0.76) ALDH1A1MAPTHTTRAB9AGAA
SCHEMBL27550012 0.63 ALDH1A1 (0.54) ALDH1A1MAPTHTTRAB9AGAA

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 ALDH1A1 1389/4885MMP2 4594/4885MMP9 4562/4885

“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.

Send feedback