SCHEMBL9846808

SCHEMBL9846808

CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
POLB P06746 3/20 0.48
NPSR1 Q6W5P4 2/20 0.48
ALDH1A1 P00352 2/20 0.48
LMNA P02545 2/20 0.48
GALR2 O43603 1/20 0.48
MITF O75030 1/20 0.48
HSP90AA1 P07900 1/20 0.48
HPGD P15428 1/20 0.48
XBP1 P17861 1/20 0.48
CCR6 P51684 1/20 0.48
MAPT P10636 3/20 0.48
GAA P10253 1/20 0.47
HTT P42858 3/20 0.46
SLC9A1 P19634 1/20 0.44
KMT2A Q03164 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MEN1 O00255 2/20 0.44
PKM P14618 2/20 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
SCHEMBL30763475 1.00 SMN1; SMN2 (0.48) SMN1; SMN2POLBNPSR1ALDH1A1LMNA
SCHEMBL2309925 0.87 LMNA (0.50) SMN1; SMN2POLBNPSR1ALDH1A1LMNA
SCHEMBL11415101 0.85 POLB (0.51) SMN1; SMN2POLBNPSR1ALDH1A1LMNA
SCHEMBL6593154 0.84 LMNA (0.51) SMN1; SMN2POLBNPSR1ALDH1A1LMNA
SCHEMBL29568385 0.84 LMNA (0.51) SMN1; SMN2POLBNPSR1ALDH1A1LMNA
SCHEMBL3251790 0.84 NPSR1 (0.50) SMN1; SMN2POLBNPSR1ALDH1A1LMNA
SCHEMBL30748250 0.84 NPSR1 (0.50) SMN1; SMN2POLBNPSR1ALDH1A1LMNA
SCHEMBL4652737 0.84 MAPT (0.54) SMN1; SMN2POLBNPSR1ALDH1A1LMNA
SCHEMBL7682200 0.83 SLC9A1 (0.55) SMN1; SMN2POLBNPSR1ALDH1A1LMNA
SCHEMBL5167381 0.82 SMN1; SMN2 (0.52) SMN1; SMN2POLBNPSR1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240327402-A1 PYRIMIDINE OR PYRIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF IN PHARMACY ABBISKO THERAPEUTICS CO., LTD. (CN) 2024-10-03 US disclosed
EP-4382511-A1 PYRIMIDINE OR PYRIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF IN PHARMACY Abbisko Therapeutics Co., Ltd. (CN) 2024-06-12 EP disclosed
CN-117440945-A Pyrimidine or pyridine derivative, preparation method thereof and application thereof in pharmacy 上海和誉生物医药科技有限公司 2024-01-23 CN disclosed
WO-2023011505-A1 PYRIMIDINE OR PYRIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF IN PHARMACY 上海和誉生物医药科技有限公司 2023-02-09 WO disclosed
WO-2023011505-A1 PYRIMIDINE OR PYRIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF IN PHARMACY 上海和誉生物医药科技有限公司 2023-02-09 WO disclosed
EP-0448188-A2 Process and intermediates for the preparation of substituted 6-(3,5,6,7-tetrahydropyrrolo-[2,1-c][1,2,4]-thiadiazol-3-ylidenimino)-7-fluoro-2H-1,4-benzoxazin-3(4H)-ones SCHERING AKTIENGESELLSCHAFT (DE) 1991-09-25 EP 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-20240327402-A1 PYRIMIDINE OR PYRIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF IN PHARMACY WEE1, WEE2, EGFR SMN1; SMN2 4747/4885POLB 1125/4885NPSR1 4246/4885

“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.