SCHEMBL5450050

SCHEMBL5450050

c1ccc(-c2ccc(-c3ccc4cc(OCc5nnn[nH]5)ccc4c3)[nH]2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.41
RAB9A P51151 5/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
GAA P10253 2/20 0.41
TP53 P04637 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
ALOX5 P09917 1/20 0.38
PRMT5 O14744 1/20 0.37
CDC7 O00311 2/20 0.36
MAPT P10636 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35
ALDH1A1 P00352 1/20 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
SCHEMBL5450092 0.81 NPC1 (0.37) NPC1RAB9AKMT2AMEN1GAA
SCHEMBL5446190 0.80 SMN1; SMN2 (0.37) NPC1RAB9AKMT2AMEN1GAA
SCHEMBL2946099 0.79 TSHR (0.46) NPC1RAB9AKMT2AMEN1GAA
SCHEMBL4265820 0.79 CDC25A (0.53) NPC1RAB9AKMT2AMEN1GAA
SCHEMBL5453566 0.78 ALOX5 (0.39) NPC1RAB9AKMT2AMEN1GAA
SCHEMBL2946398 0.75 FFAR1 (0.39) NPC1RAB9AKMT2AMEN1GAA
SCHEMBL5447485 0.75 MAOB (0.38) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL1243217 0.74 RAB9A (0.47) NPC1RAB9AKMT2AMEN1TP53
SCHEMBL4674381 0.73 NOS1 (0.41) NPC1RAB9AKMT2AMEN1GAA
SCHEMBL4675458 0.73 NPC1 (0.39) NPC1RAB9AKMT2AMEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070123495-A1 PYRROLO-NAPHTHYL ACIDS AND METHODS FOR USING THEM WYETH (US) 2007-05-31 US claimed
EP-1781641-A1 PYRROLO-NAPHTHYL ACIDS AS PAI-1 INHIBITORS Wyeth (US) 2007-05-09 EP claimed
US-7186749-B2 Pyrrolo-naphthyl acids and methods for using them WYETH (US) 2007-03-06 US claimed
US-20060052349-A1 Pyrrolo-naphthyl acids and methods for using them WYETH (US) 2006-03-09 US claimed
WO-2006023864-A1 PYRROLO-NAPHTHYL ACIDS AS PAI-1 INHIBITORS WYETH (US) 2006-03-02 WO claimed
US-20070123495-A1 PYRROLO-NAPHTHYL ACIDS AND METHODS FOR USING THEM WYETH (US) 2007-05-31 US disclosed
EP-1781641-A1 PYRROLO-NAPHTHYL ACIDS AS PAI-1 INHIBITORS Wyeth (US) 2007-05-09 EP disclosed
US-7186749-B2 Pyrrolo-naphthyl acids and methods for using them WYETH (US) 2007-03-06 US disclosed
US-20060052349-A1 Pyrrolo-naphthyl acids and methods for using them WYETH (US) 2006-03-09 US disclosed
WO-2006023864-A1 PYRROLO-NAPHTHYL ACIDS AS PAI-1 INHIBITORS WYETH (US) 2006-03-02 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 (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-20070123495-A1 PYRROLO-NAPHTHYL ACIDS AND METHODS FOR USING THEM SERPINE1, SERPINC1, SERPINB1 NPC1 934/4885RAB9A 2657/4885KMT2A 4479/4885
US-20060052349-A1 Pyrrolo-naphthyl acids and methods for using them SERPINE1, SERPINC1, SERPINB1 NPC1 934/4885RAB9A 2657/4885KMT2A 4479/4885

“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.