SCHEMBL6772340

SCHEMBL6772340

C=C(C(=O)OC)N1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
PKM P14618 1/20 0.35
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
HTT P42858 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALOX12 P18054 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ALOX15 P16050 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ATM Q13315 1/20 0.33

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
SCHEMBL27825690 0.98 ALDH1A1 (0.41) ALDH1A1HPGDSMN1; SMN2HTTALOX15
SCHEMBL25240019 0.91
SCHEMBL27451173 0.81 ALDH1A1 (0.49) ALDH1A1HPGDSMN1; SMN2PKML3MBTL1
SCHEMBL21925345 0.77 ALDH1A1 (0.42) ALDH1A1HPGDSMN1; SMN2L3MBTL1HTT
SCHEMBL261394 0.76 SMN1; SMN2 (0.43) ALDH1A1HPGDSMN1; SMN2KMT2AMEN1
SCHEMBL29109686 0.75 ALDH1A1 (0.41) ALDH1A1HPGDSMN1; SMN2KMT2AMEN1
SCHEMBL2034265 0.75 ALDH1A1 (0.41) ALDH1A1HPGDSMN1; SMN2KMT2AMEN1
SCHEMBL21925353 0.74 L3MBTL1 (0.39) ALDH1A1HPGDSMN1; SMN2KMT2AMEN1
SCHEMBL17397276 0.73 POLB (0.41) ALDH1A1HPGDSMN1; SMN2KMT2AMEN1
SCHEMBL27777215 0.72 L3MBTL1 (0.41) ALDH1A1HPGDSMN1; SMN2KMT2AMEN1

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
US-6680319-B2 TREATMENT OF OBSTRUCTIVE SYNDROMES OF THE LOWER URINARY TRACT, INCLUDING BENIGN PROSTATIC HYPERPLASIA, TREATMENT OF LOWER URINARY TRACT SYMPTOMS RECORDATI S.A. (CH) 2004-01-20 US disclosed
EP-1226131-B1 ISOXAZOLECARBOXAMIDE DERIVATIVES RECORDATI CHEM PHARM (IT) 2003-12-17 EP disclosed
US-20020161012-A1 Isoxazolecarboxamide derivatives RECORDATI, S.A., CHEMICAL AND PHARMACEUTICAL COMPANY 2002-10-31 US disclosed
EP-1226131-A2 ISOXAZOLECARBOXAMIDE DERIVATIVES RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA S.p.a. (IT) 2002-07-31 EP disclosed
US-6365591-B1 FOR THERAPY OF OBSTRUCTIVE SYNDROMES OF THE LOWER URINARY TRACT, INCLUDING BENIGN PROSTATIC HYPERPLASIA (BPH), AND IN THE TREATMENT OF LOWER URINARY TRACT SYMPTOMS (LUTS) AND NEUROGENIC LOWER URINARY TRACT DYSFUNCTION (NLUTD) RECORDATI, S.A., CHEMICAL AND PHARMACUETICALS COMPANY (CH) 2002-04-02 US disclosed
WO-2001029015-A2 ISOXAZOLECARBOXAMIDE DERIVATIVES AS ALPHA1-ADRENERGIC RECEPTOR ANTAGONISTS RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA S.P.A. (IT) 2001-04-26 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-20020161012-A1 Isoxazolecarboxamide derivatives ADRA1D, NMUR1, NMUR2 ALDH1A1 733/4885HPGD 38/4885SMN1; SMN2 2771/4885

“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.