SCHEMBL4409278

SCHEMBL4409278

COC(=O)c1cccc(-c2nnc(-c3ccccc3Cl)o2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.54
MAPT P10636 3/20 0.54
TSHR P16473 4/20 0.52
HSD17B10 Q99714 3/20 0.52
NPC1 O15118 10/20 0.52
RAB9A P51151 10/20 0.52
SMN1; SMN2 Q16637 7/20 0.52
ALDH1A1 P00352 6/20 0.52
KDM4E B2RXH2 3/20 0.52
HPGD P15428 3/20 0.51
MGAM O43451 6/20 0.51
GAA P10253 6/20 0.51
SI P14410 6/20 0.51
MGAM2 Q2M2H8 6/20 0.51
NFKB1 P19838 2/20 0.50
NFKB2 Q00653 2/20 0.50
RELA Q04206 2/20 0.50
CASP3 P42574 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50

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
SCHEMBL20419416 0.87 NPC1 (0.49) TP53MAPTTSHRHSD17B10NPC1
SCHEMBL4414554 0.85 NPC1 (0.57) TP53MAPTTSHRHSD17B10NPC1
SCHEMBL7844717 0.83 KAT6A (0.53) MAPTTSHRNPC1RAB9AALDH1A1
SCHEMBL4489440 0.81 NPC1 (0.69) TP53MAPTTSHRHSD17B10NPC1
SCHEMBL1505363 0.79 NPC1 (0.53) MAPTTSHRHSD17B10NPC1RAB9A
SCHEMBL28461341 0.79 SMN1; SMN2 (0.59) TP53TSHRHSD17B10NPC1RAB9A
SCHEMBL1429971 0.79 NPC1 (0.60) TP53MAPTTSHRHSD17B10NPC1
SCHEMBL1505310 0.79 NPC1 (0.65) TP53MAPTTSHRHSD17B10NPC1
SCHEMBL26665257 0.78 KDM4E (0.59) MAPTTSHRHSD17B10NPC1RAB9A
SCHEMBL4404831 0.78 SMN1; SMN2 (0.64) MAPTHSD17B10NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1296972-B1 ARYLMETHYLAMINE DERIVATIVES FOR USE AS TRYPTASE INHIBITORS AVENTIS PHARMA INC (US) 2009-12-23 EP disclosed
US-6977263-B2 Chemical compounds AVENTIS PHARMACEUTICALS INC. (US) 2005-12-20 US disclosed
US-20050228018-A1 Chemical compounds AVENTIS PHARMACEUTICALS INC. (US) 2005-10-13 US disclosed
US-20030187020-A1 Chemical compounds AVENTISUB LLC 2003-10-02 US disclosed
EP-1296972-A1 ARYLMETHYLAMINE DERIVATIVES FOR USE AS TRYPTASE INHIBITORS Aventis Pharmaceuticals Inc. (US) 2003-04-02 EP disclosed
WO-2001090101-A1 ARYLMETHYLAMINE DERIVATIVES FOR USE AS TRYPTASE INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2001-11-29 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-20050228018-A1 Chemical compounds CMA1, TPSB2, TPSG1 TP53 4261/4885MAPT 1376/4885TSHR 4176/4885
US-20030187020-A1 Chemical compounds CMA1, TPSB2, TPSG1 TP53 4261/4885MAPT 1376/4885TSHR 4176/4885

“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.