SCHEMBL5349459

SCHEMBL5349459

O=C(NC(=O)N1CCOCC1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.71
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
SMN1; SMN2 Q16637 6/20 0.57
HPGD P15428 2/20 0.55
TSHR P16473 2/20 0.55
PHGDH O43175 1/20 0.55
MAPT P10636 5/20 0.55
MAPK1 P28482 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
ALDH1A1 P00352 4/20 0.55
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
EPHX1 P07099 1/20 0.53
KDM4E B2RXH2 2/20 0.53
POLB P06746 1/20 0.52
KMT2A Q03164 1/20 0.52

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
Hydrochloric Acid SCHEMBL17559456 0.98 GAA (0.69) GAACYP2C9CYP2C19SMN1; SMN2HPGD
SCHEMBL7885344 0.91 GAA (0.59) GAACYP2C9CYP2C19SMN1; SMN2HPGD
SCHEMBL19559113 0.85 TSHR (0.54) GAACYP2C9CYP2C19SMN1; SMN2HPGD
SCHEMBL6474890 0.84 GAA (0.96) GAACYP2C9SMN1; SMN2HPGDALDH1A1
SCHEMBL12488830 0.84 ALOX5 (0.71) PHGDHALDH1A1NPC1RAB9AKDM4E
SCHEMBL6121111 0.80 GAA (0.71) GAASMN1; SMN2TSHRALDH1A1POLB
SCHEMBL6226507 0.80 GAA (0.71) GAASMN1; SMN2MAPTALDH1A1NPC1
Ammonia Solution, Strong SCHEMBL6028542 0.79 HPGD (0.83) GAASMN1; SMN2HPGDTSHRPHGDH
Hydrochloric Acid SCHEMBL29268525 0.79 GAA (0.69) GAASMN1; SMN2TSHRALDH1A1POLB
SCHEMBL11177556 0.78 CYP2C19 (0.77) GAACYP2C9CYP2C19SMN1; SMN2HPGD

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-1560815-A1 NOVEL PYRIMIDINE-4,6-DICARBOXAMIDES FOR THE SELECTIVE INHIBITION OF COLLAGENASES Aventis Pharma Deutschland GmbH (DE) 2005-08-10 EP claimed
WO-2004041788-A1 NOVEL PYRIMIDINE-4,6-DICARBOXAMIDES FOR THE SELECTIVE INHIBITION OF COLLAGENASES AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-05-21 WO claimed
US-20070213407-A1 Compounds to treat Alzheimer's disease ELAN PHARMACEUTICALS AND PHARMACIA & UPJOHN COMPANY LLC 2007-09-13 US disclosed
US-7214715-B2 Compounds to treat Alzheimer's disease PHARMACIA & UPJOHN (US) 2007-05-08 US disclosed
EP-1025095-A1 SUBSTITUTED CHROMAN DERIVATIVES AstraZeneca AB (SE) 2000-08-09 EP disclosed
WO-1999014212-A1 SUBSTITUTED CHROMAN DERIVATIVES ASTRAZENECA AB (SE) 1999-03-25 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 (1 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-20070213407-A1 Compounds to treat Alzheimer's disease PSEN2, PSEN1, CHAT GAA 57/4885CYP2C9 2581/4885CYP2C19 1374/4885

“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.