Sugi Predict

Sugi Predict / Compounds / SCHEMBL3557149

SCHEMBL3557149

SCHEMBL3557149

O=[N+]([O-])N1CCc2ccc3ccccc3c21

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.39
▸ TSHR P16473 2/20 0.38
▸ RXRA P19793 1/20 0.37
▸ HPRT1 P00492 1/20 0.37
▸ CYP3A4 P08684 2/20 0.35
▸ HNF4A P41235 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ CYP2A6 P11509 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ ESR1 P03372 2/20 0.33
▸ ESR2 Q92731 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ TAAR1 Q96RJ0 1/20 0.33

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
SCHEMBL3434449 0.75 KDM4E (0.40) ALDH1A1TSHRRXRAHPRT1CYP3A4
SCHEMBL1408791 0.71 ALDH1A1 (0.39) ALDH1A1TSHRHPRT1HSD17B10CYP2A6
SCHEMBL2763850 0.71 ALDH1A1 (0.35) ALDH1A1TSHRHPRT1HSD17B10CYP2A6
SCHEMBL445091 0.69 SIGMAR1 (0.47) ALDH1A1TSHRALOX15MEN1KMT2A
SCHEMBL1408982 0.69 KDM4E (0.45) ALDH1A1TSHRHPRT1HSD17B10MEN1
Water SCHEMBL17077293 0.68 SIGMAR1 (0.46) ALDH1A1TSHRALOX15MEN1KMT2A
SCHEMBL2460600 0.68 ALDH1A1 (0.37) ALDH1A1TSHRHPRT1HSD17B10ALOX15
SCHEMBL1408377 0.68 MAPT (0.37) ALDH1A1TSHRHPRT1HSD17B10MEN1
SCHEMBL17988784 0.68 MEN1 (0.38) ALDH1A1TSHRHSD17B10ALOX15MEN1
SCHEMBL12776571 0.67 CYP2A6 (0.42) ALDH1A1TSHRHPRT1HSD17B10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7718688-B2 Nitrobenzindoles and their use in cancer therapy AUCKLAND UNISERVICES LIMITED (NZ) 2010-05-18 — — US disclosed
EP-1809603-A4 NITROBENZINDOLES AND THEIR USE IN CANCER THERAPY AUCKLAND UNISERVICES LTD (NZ) 2009-09-02 — — EP disclosed
US-20080119442-A1 as hypoxia-selective drugs and radiosensitizers for cancer therapy; nitroreductase inhibitor; 1-(Chloromethyl)-5,6-dinitro-3-(5,6,7-trimethoxyindol-2-carbonyl)-1,2-dihydro-3H-benzo[e]indole; halogenation of naphthalene derivative followed by hydration and cyclization AUCKLAND UNISERVICES LIMITED (NZ) 2008-05-22 — — US disclosed
EP-1809603-A1 NITROBENZINDOLES AND THEIR USE IN CANCER THERAPY Auckland Uniservices Limited (NZ) 2007-07-25 — — EP disclosed
WO-2006043839-A1 NITROBENZINDOLES AND THEIR USE IN CANCER THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2006-04-27 — — 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 (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-20080119442-A1 as hypoxia-selective drugs and radiosensitizers for cancer therapy; nitroreductase inhibitor; 1-(Chloromethyl)-5,6-dinitro-3-(5,6,7-trimethoxyindol-2-carbonyl)-1,2-dihydro-3H-benzo[e]indole; halogenation of naphthalene derivative followed by hydration and cyclization HIF1AN, HYOU1, HIF1A ALDH1A1 77/4885TSHR 1796/4885RXRA 2265/4885

“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.