SCHEMBL3392428

SCHEMBL3392428

NC(=O)c1c(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)sc2c1CCCC2

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 6/20 0.73
▸ RAB9A P51151 5/20 0.73
▸ MEN1 O00255 4/20 0.73
▸ KMT2A Q03164 4/20 0.73
▸ SMN1; SMN2 Q16637 4/20 0.73
▸ MAPT P10636 3/20 0.73
▸ GAA P10253 2/20 0.73
▸ BLM P54132 2/20 0.73
▸ POLB P06746 2/20 0.73
▸ HTT P42858 2/20 0.73
▸ RECQL P46063 1/20 0.73
▸ ALDH1A1 P00352 3/20 0.71
▸ RAD52 P43351 1/20 0.71
▸ MCL1 Q07820 1/20 0.71
▸ CCR6 P51684 1/20 0.59
▸ PDE4B Q07343 1/20 0.59
▸ PDE4D Q08499 1/20 0.59
▸ LMNA P02545 2/20 0.57
▸ CFTR P13569 1/20 0.56
▸ KDM4E B2RXH2 1/20 0.55

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
SCHEMBL3393564 0.83 NPC1 (0.68) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL3391900 0.83 CCR6 (0.57) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL8289836 0.81 NPC1 (0.66) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL5453184 0.77 CCR6 (0.60) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL5456038 0.77 FLT3 (0.56) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL3914715 0.76 FLT3 (0.74) NPC1MEN1KMT2AMAPTPOLB
SCHEMBL5460669 0.76 PDE4B (0.58) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL12111957 0.76 PDE4B (0.63) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL5458413 0.74 KMT2A (0.64) MEN1KMT2ASMN1; SMN2MAPTBLM
SCHEMBL13091526 0.74 ANO1 (0.69) NPC1RAB9AMEN1KMT2ASMN1; SMN2

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 7 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
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 898/4885RAB9A 4061/4885MEN1 3060/4885

“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.

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