SCHEMBL2188995

SCHEMBL2188995

Cn1ncc(N2CCCCC2)c(C=NO)c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
HPGD P15428 2/20 0.43
TSHR P16473 1/20 0.43
CYP1A2 P05177 3/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C19 P33261 2/20 0.41
RAB9A P51151 4/20 0.40
GAA P10253 2/20 0.40
MEN1 O00255 1/20 0.40
CYP2C9 P11712 1/20 0.40
KMT2A Q03164 1/20 0.40
NPC1 O15118 4/20 0.37
PKM P14618 2/20 0.37
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 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
SCHEMBL2188990 1.00 ALDH1A1 (0.43) ALDH1A1HPGDTSHRCYP1A2CYP3A4
SCHEMBL2214819 0.89 BRD9 (0.40) ALDH1A1CYP3A4KMT2ANPC1PKM
SCHEMBL2214822 0.89 BRD9 (0.40) ALDH1A1CYP3A4KMT2ANPC1PKM
SCHEMBL2187047 0.82 RAB9A (0.41) ALDH1A1CYP1A2CYP2C19RAB9AGAA
SCHEMBL2188881 0.77 ITGB1 (0.39) ALDH1A1HPGDTSHRCYP1A2CYP3A4
SCHEMBL2188876 0.77 ITGB1 (0.39) ALDH1A1HPGDTSHRCYP1A2CYP3A4
SCHEMBL2214126 0.75 ITGB1 (0.39) ALDH1A1HPGDTSHRCYP1A2CYP3A4
SCHEMBL2214129 0.75 ITGB1 (0.39) ALDH1A1HPGDTSHRCYP1A2CYP3A4
SCHEMBL2549761 0.73 RAB9A (0.59) ALDH1A1RAB9AGAAMEN1KMT2A
SCHEMBL2550526 0.71 ALDH1A1 (0.58) ALDH1A1RAB9AGAAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2342179-B1 COMPOUNDS FOR INHIBITING SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) / VASCULAR ADHESION PROTEIN-1 (VAP-1) AND USES THEREOF FOR TREATMENT AND PREVENTION OF DISEASES SEMMELWEIS EGYETEM (HU) 2015-05-27 EP disclosed
US-8536210-B2 Compounds for inhibiting semicarbazide-sensitive amine oxidase (SSAO)/vascular adhesion protein-1 (VAP-1) and uses thereof for treatment and prevention of diseases SEMMELWEIS EGYETEM (HU) 2013-09-17 US disclosed
US-20110263567-A1 COMPOUNDS FOR INHIBITING SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) / VASCULAR ADHESION PROTEIN-1 (VAP-1) AND USES THEREOF FOR TREATMENT AND PREVENTION OF DISEASES SEMMELWEIS EGYETEM (HU) 2011-10-27 US disclosed
EP-2342179-A1 COMPOUNDS FOR INHIBITING SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) / VASCULAR ADHESION PROTEIN-1 (VAP-1) AND USES THEREOF FOR TREATMENT AND PREVENTION OF DISEASES Semmelweis Egyetem (HU) 2011-07-13 EP disclosed
WO-2010029379-A1 COMPOUNDS FOR INHIBITING SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) / VASCULAR ADHESION PROTEIN-1 (VAP-1) AND USES THEREOF FOR TREATMENT AND PREVENTION OF DISEASES SEMMELWEIS EGYETEM (HU) 2010-03-18 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-20110263567-A1 COMPOUNDS FOR INHIBITING SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) / VASCULAR ADHESION PROTEIN-1 (VAP-1) AND USES THEREOF FOR TREATMENT AND PREVENTION OF DISEASES VCAM1, AOX1, AOC3 ALDH1A1 44/4885HPGD 1989/4885TSHR 2775/4885

“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.