Sugi Predict

Sugi Predict / Compounds / SCHEMBL1553399

SCHEMBL1553399

SCHEMBL1553399

O=CNc1ccc(-c2csc(N3C(=O)c4ccccc4C3=O)c2C(=O)O)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 10/20 0.38
▸ MEN1 O00255 9/20 0.38
▸ NPC1 O15118 4/20 0.37
▸ RAB9A P51151 4/20 0.37
▸ SMN1; SMN2 Q16637 4/20 0.37
▸ MAPT P10636 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ SLC12A2 P55011 1/20 0.37
▸ SLC12A5 Q9H2X9 1/20 0.37
▸ ALDH1A1 P00352 6/20 0.37
▸ PKM P14618 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ BLM P54132 1/20 0.37
▸ UBE2I P63279 1/20 0.37
▸ HKDC1 Q2TB90 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ SAE1 Q9UBE0 1/20 0.37
▸ UBA2 Q9UBT2 1/20 0.37
▸ SCN2A Q99250 2/20 0.35

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
SCHEMBL4087454 0.88 ALDH1A1 (0.36) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL4563209 0.86 KMT2A (0.42) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL1554791 0.85 ALDH1A1 (0.46) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL1554609 0.84 ALDH1A1 (0.49) KMT2AMEN1RAB9ASMN1; SMN2MAPT
SCHEMBL3903170 0.83 SCN2A (0.37) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL1554635 0.83 MEN1 (0.48) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL1553831 0.82 MEN1 (0.46) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL1553923 0.82 AR (0.49) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL3972241 0.80 MEN1 (0.46) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL1553601 0.79 ALDH1A1 (0.42) KMT2AMEN1NPC1SMN1; SMN2MAPT

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
EP-1383463-B1 FUSED THIOPHENE COMPOUNDS AND USE THEREOF IN THE TREATMENT OF CHRONIC PAIN KING PHARMACEUTICALS INC (US) 2011-04-27 — — EP disclosed
US-7449490-B2 Pharmaceutically active compounds and methods of use KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2008-11-11 — — US disclosed
US-7101905-B2 Pharmaceutically active compounds and methods of use KING PHARMACEUTICALS RESEARCH & DEVELOPMENT, INC. (US) 2006-09-05 — — US disclosed
US-20060183921-A1 Pharmaceutically active compounds and methods of use KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2006-08-17 — — US disclosed
US-20030073733-A1 Pharmaceutically active compounds and methods of use KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2003-04-17 — — 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 (2 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-20060183921-A1 Pharmaceutically active compounds and methods of use TRPV1, TPMT, ACHE KMT2A 4595/4885MEN1 4077/4885NPC1 931/4885
US-20030073733-A1 Pharmaceutically active compounds and methods of use TRPV1, TPMT, ACHE KMT2A 4595/4885MEN1 4077/4885NPC1 931/4885

“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.