SCHEMBL5450092

SCHEMBL5450092

Cn1c(-c2ccccc2)ccc1-c1ccc2cc(OCc3nnn[nH]3)ccc2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
RAB9A P51151 2/20 0.37
LMNA P02545 2/20 0.37
GAA P10253 2/20 0.37
MAPK1 P28482 2/20 0.37
TP53 P04637 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36
ALOX5 P09917 1/20 0.35
NISCH Q9Y2I1 1/20 0.34
CYP19A1 P11511 1/20 0.34
WNT1 P04628 1/20 0.34

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
SCHEMBL5446190 0.88 SMN1; SMN2 (0.37) NPC1MEN1KMT2ARAB9ALMNA
SCHEMBL5453566 0.86 ALOX5 (0.39) NPC1MEN1KMT2ARAB9ALMNA
SCHEMBL5450050 0.81 NPC1 (0.41) NPC1MEN1KMT2ARAB9ALMNA
SCHEMBL5455854 0.80 ALOX5AP (0.40) KDM4EHPGD
SCHEMBL2946099 0.76 TSHR (0.46) NPC1MEN1KMT2ARAB9ALMNA
SCHEMBL4265820 0.76 CDC25A (0.53) NPC1MEN1KMT2ARAB9ALMNA
SCHEMBL5457662 0.75 PSEN1 (0.40) NPC1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL4021345 0.73 PSEN1 (0.36) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL2946398 0.72 FFAR1 (0.39) NPC1MEN1KMT2ARAB9ALMNA
SCHEMBL5448418 0.72 CYP11B2 (0.55) NPC1MEN1KMT2ARAB9ALMNA

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 934/4885MEN1 2080/4885KMT2A 4479/4885
US-20060052349-A1 Pyrrolo-naphthyl acids and methods for using them SERPINE1, SERPINC1, SERPINB1 NPC1 934/4885MEN1 2080/4885KMT2A 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.