SCHEMBL6375223

SCHEMBL6375223

Nc1cc(NC(=O)C(F)(F)F)c2c(c1)OCCCO2

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 12/20 0.37
▸ RAB9A P51151 11/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ SMN1; SMN2 Q16637 9/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ MAPK8 P45983 1/20 0.33
▸ PTPN5 P54829 1/20 0.32
▸ MAPK1 P28482 1/20 0.31

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
SCHEMBL6369110 0.82 ALDH1A1 (0.47) NPC1RAB9AKMT2ASMN1; SMN2ALDH1A1
SCHEMBL6369028 0.78 NPC1 (0.43) NPC1RAB9AKMT2ASMN1; SMN2ALDH1A1
SCHEMBL4181845 0.78 MAOB (0.38) NPC1RAB9AKMT2ASMN1; SMN2ALDH1A1
SCHEMBL7431136 0.71 MRGPRX1 (0.48) ALDH1A1MAPK1
SCHEMBL7397888 0.71 MRGPRX1 (0.43) ALDH1A1MAPK1
SCHEMBL6373837 0.70 KMT2A (0.41) NPC1RAB9AKMT2ASMN1; SMN2ALDH1A1
SCHEMBL7334464 0.69 NOTUM (0.35) —
SCHEMBL13385009 0.69 NPC1 (0.41) NPC1RAB9AKMT2ASMN1; SMN2ALDH1A1
SCHEMBL6374647 0.69 SMN1; SMN2 (0.50) NPC1RAB9AKMT2ASMN1; SMN2ALDH1A1
SCHEMBL6369200 0.69 PARP1 (0.44) NPC1RAB9AKMT2ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050020661-A1 Substituted 1H-indole-2- carboxamides and 6H-thieno(2,3-b)pyrrole-5-carboxamides useful for inhibiting glycogen phosphorylase in a mammal GAMMILL RONALD B (US) 2005-01-27 — — US disclosed
US-6821977-B2 SUBSTITUTED 1H-(INDOLE-2- CARBOXAMIDES AND 6H-THIENO(2,3-B)PYRROLE-5-CARBOXAMIDES USEFUL FOR INHIBITING GLYCOGEN PHOSPHORYLASE IN A MAMMAL PFIZER, INC. 2004-11-23 — — US disclosed
US-20030199553-A1 Antidiabetic agents GAMMILL RONALD B (US) 2003-10-23 — — US disclosed
EP-1340500-A1 Antidiabetic agents Pfizer Products Inc. (US) 2003-09-03 — — EP 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-20030199553-A1 Antidiabetic agents GPR119, IRS1, INSR NPC1 27/4885RAB9A 735/4885KMT2A 4151/4885
US-20050020661-A1 Substituted 1H-indole-2- carboxamides and 6H-thieno(2,3-b)pyrrole-5-carboxamides useful for inhibiting glycogen phosphorylase in a mammal PYGM, PYGL, IRS1 NPC1 1066/4885RAB9A 2493/4885KMT2A 2347/4885

“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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