SCHEMBL25933630

SCHEMBL25933630

CSc1ccc(Cc2ccccc2)c([N+](=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 2/20 0.43
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
TBXA2R P21731 1/20 0.40
PTGER3 P43115 1/20 0.40
PTGER2 P43116 1/20 0.40
PTGDR Q13258 1/20 0.40
KDM4E B2RXH2 1/20 0.39
SNCA P37840 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP19A1 P11511 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
LMNA P02545 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
CYP1A2 P05177 2/20 0.37

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
SCHEMBL10654709 0.80 TSHR (0.53) ALDH1A1MEN1KMT2AMAPTSLC6A2
SCHEMBL5248985 0.78 CYP1A2 (0.59) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL29274258 0.77 RAB9A (0.50) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL29274252 0.77 KMT2A (0.51) ALDH1A1MEN1KMT2AMAPTLMNA
Methoxymethane SCHEMBL27522023 0.77 CYP1A2 (0.54) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL40607 0.76 ALDH1A1 (0.60) ALDH1A1MEN1KMT2AHSD17B10SIGMAR1
SCHEMBL29374664 0.74 ALDH1A1 (0.56) ALDH1A1MEN1KMT2AMAPTHSD17B10
SCHEMBL9311036 0.74 ALDH1A1 (0.56) ALDH1A1MEN1KMT2AMAPTHSD17B10
SCHEMBL25933629 0.73 SLC6A2 (0.46) ALDH1A1MEN1KMT2ASLC6A2SLC6A4
SCHEMBL25250134 0.73 PDE7A (0.66) ALDH1A1MEN1KMT2AMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230242502-A1 THIOBENZOPYRANS AND THEIR USE IN PREPARATION OF DRUGS FOR TREATMENT OF RHEUMATOID ARTHRITIS HC Synthetic Pharmaceutical Co., Ltd. (CN) 2023-08-03 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-20230242502-A1 THIOBENZOPYRANS AND THEIR USE IN PREPARATION OF DRUGS FOR TREATMENT OF RHEUMATOID ARTHRITIS TST, SSB, HK1 ALDH1A1 818/4885MEN1 4865/4885KMT2A 2785/4885

“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.