SCHEMBL1946009

SCHEMBL1946009

O=C=Nc1cc([N+](=O)[O-])cc(C(F)(F)F)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
TSHR P16473 3/20 0.41
CYP3A4 P08684 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
HIF1A Q16665 1/20 0.41
TXNRD1 Q16881 1/20 0.41
TXNRD3 Q86VQ6 1/20 0.41
TXNRD2 Q9NNW7 1/20 0.41
P2RX1 P51575 3/20 0.36
P2RX4 Q99571 1/20 0.36
P2RX7 Q99572 1/20 0.36
KIF11 P52732 2/20 0.36
PTPN5 P54829 1/20 0.36
TMPRSS4 Q9NRS4 1/20 0.35
CYP19A1 P11511 1/20 0.34
MAPK1 P28482 3/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL1305258 0.82 CYP19A1 (0.50) ALDH1A1TSHRCYP3A4TDP1HPGD
SCHEMBL1712522 0.82 CYP19A1 (0.44) ALDH1A1TSHRCYP3A4TDP1HPGD
SCHEMBL419151 0.80 CES2 (0.41) ALDH1A1TSHRCYP3A4TDP1HPGD
SCHEMBL1005841 0.78 TSHR (0.55) ALDH1A1TSHRCYP3A4TDP1HPGD
SCHEMBL1996062 0.78 ALDH1A1 (0.55) ALDH1A1TSHRCYP3A4TDP1HPGD
SCHEMBL9484832 0.77 CA1 (0.45) KIF11MAPT
Hydrochloric Acid SCHEMBL28212666 0.77 TSHR (0.53) ALDH1A1TSHRCYP3A4TDP1HPGD
Hydrazine SCHEMBL28307217 0.75 TSHR (0.52) ALDH1A1TSHRCYP3A4TDP1HPGD
SCHEMBL19170895 0.75 MEN1 (0.40) ALDH1A1TSHRCYP3A4TDP1CYP19A1
SCHEMBL5497151 0.75 ALDH1A1 (0.44) ALDH1A1TSHRCYP3A4TDP1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4563146-A1 FLAVIVIRUS INHIBITORS IRBM S.P.A. (IT) 2025-06-04 EP disclosed
US-20220306640-A1 HYDANTOIN DERIVATIVE ONO PHARMACEUTICAL CO., LTD. (JP) 2022-09-29 US disclosed
EP-4025570-A1 HYDANTOIN DERIVATIVE ONO Pharmaceutical Co., Ltd. (JP) 2022-07-13 EP disclosed
WO-2021043245-A1 HYDANTOIN DERIVATIVE ONO PHARMACEUTICAL CO., LTD. (JP) 2021-03-11 WO disclosed
US-9732070-B2 Protein kinase C inhibitors and uses thereof RIGEL PHARMACEUTICALS, INC. (US) 2017-08-15 US disclosed
US-9732070-B2 Protein kinase C inhibitors and uses thereof RIGEL PHARMACEUTICALS, INC. (US) 2017-08-15 US disclosed
US-9732070-B2 Protein kinase C inhibitors and uses thereof RIGEL PHARMACEUTICALS, INC. (US) 2017-08-15 US disclosed
US-20170152246-A1 Protein Kinase C Inhibitors and Uses Thereof MIDCAP FINANCIAL TRUST 2017-06-01 US disclosed
US-20170152246-A1 Protein Kinase C Inhibitors and Uses Thereof MIDCAP FINANCIAL TRUST 2017-06-01 US disclosed
US-20170152246-A1 Protein Kinase C Inhibitors and Uses Thereof MIDCAP FINANCIAL TRUST 2017-06-01 US disclosed
EP-2507227-B1 TETRAZOLONES AS PROTEIN KINASE C INHIBITORS AND USES THEREOF RIGEL PHARMACEUTICALS INC (US) 2014-10-08 EP disclosed
WO-2011068898-A1 PROTEIN KINASE C INHIBITORS AND USES THEREOF RIGEL PHARMACEUTICALS, INC. (US) 2011-06-09 WO disclosed
US-20110130415-A1 PROTEIN KINASE C INHIBITORS AND USES THEREOF RIGEL PHARMACEUTICALS, INC. 2011-06-02 US disclosed
US-20110130415-A1 PROTEIN KINASE C INHIBITORS AND USES THEREOF RIGEL PHARMACEUTICALS, INC. 2011-06-02 US disclosed
US-20110130415-A1 PROTEIN KINASE C INHIBITORS AND USES THEREOF RIGEL PHARMACEUTICALS, INC. 2011-06-02 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 (3 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-20110130415-A1 PROTEIN KINASE C INHIBITORS AND USES THEREOF PRKCH, PRKCA, PRKCB ALDH1A1 4361/4885TSHR 3710/4885CYP3A4 4316/4885
US-20170152246-A1 Protein Kinase C Inhibitors and Uses Thereof PRKCH, PRKCA, PRKCB ALDH1A1 4361/4885TSHR 3710/4885CYP3A4 4316/4885
US-20220306640-A1 HYDANTOIN DERIVATIVE DDR1, DDR2, DDRGK1 ALDH1A1 535/4885TSHR 3817/4885CYP3A4 4698/4885

“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.