SCHEMBL2929482

SCHEMBL2929482

COc1cc(F)c([N+](=O)[O-])cc1NS(C)(=O)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
CYP19A1 P11511 10/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
MAPT P10636 2/20 0.41
TSHR P16473 2/20 0.41
PTGS1 P23219 2/20 0.41
PTGS2 P35354 2/20 0.41
PTGES O14684 1/20 0.41
CYP2D6 P10635 1/20 0.41
ALOX15 P16050 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 2/20 0.40
HPGD P15428 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MLNR O43193 1/20 0.40
MMP1 P03956 1/20 0.40

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
SCHEMBL30364534 0.89 ALDH1A1 (0.46) ALDH1A1CYP19A1MEN1KMT2ASMN1; SMN2
SCHEMBL19239593 0.82 ALDH1A1 (0.42) ALDH1A1MEN1KMT2ACYP3A4MAPT
SCHEMBL28892895 0.82 L3MBTL1 (0.65) ALDH1A1SMN1; SMN2MAPTLMNAHPGD
SCHEMBL30063515 0.81 MAPT (0.45) ALDH1A1MEN1KMT2ASMN1; SMN2CYP3A4
SCHEMBL17683328 0.81 MAPT (0.45) ALDH1A1MEN1KMT2ASMN1; SMN2CYP3A4
SCHEMBL29025170 0.78 MAPK1 (0.41) ALDH1A1MEN1KMT2ACYP3A4MAPT
SCHEMBL1766175 0.78 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2CYP3A4MAPTCYP2D6
SCHEMBL31377991 0.78 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2CYP3A4MAPTCYP2D6
SCHEMBL20680892 0.77 PKM (0.45) ALDH1A1MEN1KMT2ACYP3A4MAPT
SCHEMBL18038909 0.77 ALDH1A1 (0.49) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2147922-B1 FUSED HETEROCYCLIC DERIVATIVE, PHARMACEUTICAL COMPOSITION COMPRISING THE DERIVATIVE, AND USE OF THE COMPOSITION FOR MEDICAL PURPOSES KISSEI PHARMACEUTICAL (JP) 2017-08-02 EP disclosed
US-8426427-B2 Fused heterocyclic derivative, pharmaceutical composition comprising the derivative, and use of the composition for medical purposes KISSEI PHARMACEUTICAL CO., LTD. (JP) 2013-04-23 US disclosed
US-20100081674-A1 FUSED HETEROCYCLIC DERIVATIVE, PHARMACEUTICAL COMPOSITION COMPRISING THE DERIVATIVE, AND USE OF THE COMPOSITION FOR MEDICAL PURPOSES KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-04-01 US disclosed
EP-2147922-A1 FUSED HETEROCYCLIC DERIVATIVE, PHARMACEUTICAL COMPOSITION COMPRISING THE DERIVATIVE, AND USE OF THE COMPOSITION FOR MEDICAL PURPOSES Kissei Pharmaceutical Co., Ltd. (JP) 2010-01-27 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-20100081674-A1 FUSED HETEROCYCLIC DERIVATIVE, PHARMACEUTICAL COMPOSITION COMPRISING THE DERIVATIVE, AND USE OF THE COMPOSITION FOR MEDICAL PURPOSES SHBG, GNRHR, CYP19A1 ALDH1A1 3044/4885CYP19A1 3/4885MEN1 1416/4885

“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.