SCHEMBL19332292

SCHEMBL19332292

O=Cc1ccc([N+](=O)[O-])c(OCCF)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.57
MAPT P10636 6/20 0.57
HPGD P15428 5/20 0.57
LMNA P02545 4/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
HTT P42858 1/20 0.56
ALDH5A1 P51649 1/20 0.46
ABAT P80404 1/20 0.46
VCAM1 P19320 1/20 0.46
FDPS P14324 1/20 0.45
NPC1 O15118 1/20 0.45
RECQL P46063 1/20 0.45
RAB9A P51151 1/20 0.45
ALDH3A1 P30838 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
TTR P02766 1/20 0.42
MEN1 O00255 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
SCHEMBL19331977 0.88 MAPT (0.57) ALDH1A1MAPTHPGDLMNASMN1; SMN2
SCHEMBL27841939 0.85 MAPT (0.61) ALDH1A1MAPTHPGDLMNASMN1; SMN2
SCHEMBL14874247 0.84 MAPT (0.62) ALDH1A1MAPTHPGDLMNASMN1; SMN2
SCHEMBL19332026 0.83 PTGS2 (0.53) ALDH1A1MAPTHPGDLMNASMN1; SMN2
SCHEMBL19332027 0.83 PTGS2 (0.53) ALDH1A1MAPTHPGDLMNASMN1; SMN2
SCHEMBL2550565 0.83 ALDH1A1 (0.53) ALDH1A1MAPTHPGDLMNASMN1; SMN2
SCHEMBL2462903 0.82 ALDH1A1 (0.58) ALDH1A1MAPTHPGDLMNASMN1; SMN2
SCHEMBL2559467 0.80 ALDH1A1 (0.53) ALDH1A1MAPTHPGDLMNASMN1; SMN2
SCHEMBL29951762 0.79 ALDH1A1 (0.51) ALDH1A1MAPTHPGDLMNASMN1; SMN2
SCHEMBL22324323 0.78 ALDH1A1 (0.50) ALDH1A1MAPTHPGDLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11801315-B2 Radioligands for myelin CASE WESTERN RESERVE UNIVERSITY (US) 2023-10-31 US disclosed
US-11801315-B2 Radioligands for myelin CASE WESTERN RESERVE UNIVERSITY (US) 2023-10-31 US disclosed
US-20230201382-A1 RADIOLIGANDS FOR MYELIN NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-06-29 US disclosed
US-20230201382-A1 RADIOLIGANDS FOR MYELIN NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-06-29 US disclosed
EP-3426309-B1 RADIOLIGANDS FOR MYELIN UNIV CASE WESTERN RESERVE (US) 2022-05-04 EP disclosed
US-20210128756-A1 RADIOLIGANDS FOR MYELIN NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-05-06 US disclosed
US-10765763-B2 Radioligands for myelin CASE WESTERN RESERVE UNIVERSITY (US) 2020-09-08 US disclosed
US-20190134232-A1 RADIOLIGANDS FOR MYELIN CASE WESTERN RESERVE UNIVERSITY 2019-05-09 US disclosed
EP-3426309-A1 RADIOLIGANDS FOR MYELIN Case Western Reserve University (US) 2019-01-16 EP disclosed
WO-2017156303-A1 RADIOLIGANDS FOR MYELIN CASE WESTERN RESERVE UNIVERSITY (US) 2017-09-14 WO disclosed
WO-2017156303-A1 RADIOLIGANDS FOR MYELIN CASE WESTERN RESERVE UNIVERSITY (US) 2017-09-14 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 (5 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-20190134232-A1 RADIOLIGANDS FOR MYELIN MAG, PMP22, MYT1 ALDH1A1 3084/4885MAPT 1625/4885HPGD 2564/4885
US-20230201382-A1 RADIOLIGANDS FOR MYELIN MAG, PMP22, MYT1 ALDH1A1 2144/4885MAPT 2373/4885HPGD 852/4885
US-20210128756-A1 RADIOLIGANDS FOR MYELIN MAG, PMP22, MYT1 ALDH1A1 3084/4885MAPT 1625/4885HPGD 2564/4885
US-11801315-B2 Radioligands for myelin MAG, PMP22, MYT1 ALDH1A1 3084/4885MAPT 1625/4885HPGD 2564/4885
US-10765763-B2 Radioligands for myelin MAG, PMP22, MYT1 ALDH1A1 3084/4885MAPT 1625/4885HPGD 2564/4885

“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.