Sugi Predict

Sugi Predict / Compounds / SCHEMBL3397867

SCHEMBL3397867

SCHEMBL3397867

NC(=O)c1c(NC(=O)CSc2ccc([N+](=O)[O-])cc2)sc2c1CCC2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.58
▸ ALDH1A1 P00352 7/20 0.55
▸ MAPT P10636 7/20 0.55
▸ KMT2A Q03164 4/20 0.55
▸ POLB P06746 4/20 0.55
▸ L3MBTL1 Q9Y468 4/20 0.55
▸ KDM4E B2RXH2 3/20 0.55
▸ HSD17B10 Q99714 3/20 0.55
▸ MEN1 O00255 3/20 0.55
▸ HPGD P15428 2/20 0.55
▸ ALOX15 P16050 2/20 0.55
▸ RECQL P46063 2/20 0.55
▸ CTDSP1 Q9GZU7 2/20 0.55
▸ TDP1 Q9NUW8 2/20 0.55
▸ GAA P10253 1/20 0.55
▸ PTPN7 P35236 1/20 0.55
▸ BLM P54132 1/20 0.55
▸ MCL1 Q07820 1/20 0.55
▸ MAPK1 P28482 2/20 0.55
▸ LMNA P02545 3/20 0.53

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
SCHEMBL13159104 0.98 NPC1 (0.60) NPC1ALDH1A1MAPTKMT2APOLB
SCHEMBL3394598 0.86 ALDH1A1 (0.54) NPC1ALDH1A1MAPTKMT2APOLB
SCHEMBL13187811 0.86 ALDH1A1 (0.47) NPC1ALDH1A1MAPTKMT2APOLB
SCHEMBL21045328 0.85 FLT3 (0.67) NPC1ALDH1A1MAPTKMT2APOLB
SCHEMBL13183018 0.84 ALDH1A1 (0.57) NPC1ALDH1A1MAPTKMT2APOLB
SCHEMBL3914715 0.83 FLT3 (0.74) NPC1ALDH1A1MAPTKMT2APOLB
SCHEMBL3397527 0.82 FLT3 (0.71) NPC1ALDH1A1MAPTPOLBL3MBTL1
SCHEMBL13159113 0.81 ALDH1A1 (0.60) NPC1ALDH1A1MAPTKMT2APOLB
SCHEMBL3397824 0.80 CCR6 (0.53) NPC1ALDH1A1MAPTKMT2AKDM4E
SCHEMBL5453184 0.78 CCR6 (0.60) NPC1ALDH1A1MAPTKMT2AMEN1

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-20100222381-A1 Cyclopentathiophene/cyclohexathiophene DNA methyltransferase inhibitors VANKAYALAPATI HARIPRASAD 2010-09-02 — — US claimed
WO-2010098866-A1 CYCLOPENTATHIOPHENE/CYCLOHEXATHIOPHENE DNA METHYLTRANSFERASE INHIBITORS SUPERGEN, INC. (US) 2010-09-02 — — WO claimed
US-20100222381-A1 Cyclopentathiophene/cyclohexathiophene DNA methyltransferase inhibitors VANKAYALAPATI HARIPRASAD 2010-09-02 — — US disclosed
US-20100222381-A1 Cyclopentathiophene/cyclohexathiophene DNA methyltransferase inhibitors VANKAYALAPATI HARIPRASAD 2010-09-02 — — US disclosed
WO-2010098866-A1 CYCLOPENTATHIOPHENE/CYCLOHEXATHIOPHENE DNA METHYLTRANSFERASE INHIBITORS SUPERGEN, INC. (US) 2010-09-02 — — WO disclosed
WO-2010098866-A1 CYCLOPENTATHIOPHENE/CYCLOHEXATHIOPHENE DNA METHYLTRANSFERASE INHIBITORS SUPERGEN, INC. (US) 2010-09-02 — — 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-20100222381-A1 Cyclopentathiophene/cyclohexathiophene DNA methyltransferase inhibitors DNMT3B, DNMT1, DNMT3L NPC1 898/4885ALDH1A1 982/4885MAPT 1024/4885

“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.