SCHEMBL3393564

SCHEMBL3393564

NC(=O)c1c(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)sc2c1CCCC2

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 6/20 0.68
▸ MAPT P10636 6/20 0.68
▸ RAB9A P51151 5/20 0.68
▸ SMN1; SMN2 Q16637 4/20 0.68
▸ KMT2A Q03164 4/20 0.68
▸ MEN1 O00255 3/20 0.68
▸ HPGD P15428 2/20 0.68
▸ POLB P06746 2/20 0.68
▸ KDM4E B2RXH2 1/20 0.68
▸ ESR1 P03372 1/20 0.68
▸ TP53 P04637 1/20 0.68
▸ CASP3 P42574 1/20 0.68
▸ ESR2 Q92731 1/20 0.68
▸ SENP8 Q96LD8 1/20 0.68
▸ HSD17B10 Q99714 1/20 0.68
▸ SENP7 Q9BQF6 1/20 0.68
▸ SENP6 Q9GZR1 1/20 0.68
▸ CCR6 P51684 1/20 0.68
▸ PDE4B Q07343 1/20 0.57
▸ PDE4D Q08499 1/20 0.57

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
SCHEMBL3392428 0.83 NPC1 (0.73) NPC1MAPTRAB9ASMN1; SMN2KMT2A
SCHEMBL3391900 0.81 CCR6 (0.57) NPC1MAPTRAB9ASMN1; SMN2KMT2A
SCHEMBL3403591 0.81 NPC1 (1.00) NPC1MAPTRAB9ASMN1; SMN2KMT2A
SCHEMBL3914715 0.77 FLT3 (0.74) NPC1MAPTKMT2AMEN1POLB
SCHEMBL5453184 0.76 CCR6 (0.60) NPC1MAPTRAB9ASMN1; SMN2KMT2A
SCHEMBL5456038 0.76 FLT3 (0.56) NPC1MAPTRAB9ASMN1; SMN2KMT2A
SCHEMBL5460669 0.75 PDE4B (0.58) NPC1MAPTRAB9AKMT2AMEN1
SCHEMBL12111957 0.74 PDE4B (0.63) NPC1MAPTRAB9ASMN1; SMN2KMT2A
SCHEMBL17916667 0.74 HPGD (0.70) NPC1MAPTRAB9ASMN1; SMN2KMT2A
SCHEMBL13159104 0.74 NPC1 (0.60) NPC1MAPTRAB9AKMT2AMEN1

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 898/4885MAPT 1024/4885RAB9A 4061/4885

“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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