SCHEMBL98086

SCHEMBL98086

Cn1c(=O)n2c3c(cccc31)C(=O)/C(=N\O)CC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
RECQL P46063 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
BRD1 O95696 6/20 0.34
BRPF1 P55201 5/20 0.34
TAF1 P21675 4/20 0.34
HTR1A P08908 1/20 0.34
BRD4 O60885 1/20 0.32
HTR3A P46098 5/20 0.32
ACHE P22303 1/20 0.31
HPGD P15428 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ERCC1 P07992 1/20 0.31
FEN1 P39748 1/20 0.31
ERCC4 Q92889 1/20 0.31

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
SCHEMBL13703833 0.75 ALDH1A1 (0.34) ALDH1A1MAPTBRD1BRPF1TAF1
SCHEMBL134748 0.72 HTR3A (0.43) KDM4ERECQLALDH1A1CYP1A2CYP2C19
SCHEMBL4850625 0.67 HSD17B10 (0.49) KDM4EALDH1A1CYP1A2HTR1AHPGD
SCHEMBL13703804 0.65 KDM4E (0.55) KDM4ERECQLALDH1A1MAPTALOX15
SCHEMBL20622382 0.63 ALDH1A1 (0.46) KDM4ERECQLALDH1A1CYP1A2CYP2C19
SCHEMBL13273475 0.63 ALDH1A1 (0.46) KDM4ERECQLALDH1A1CYP1A2CYP2C19
SCHEMBL17012025 0.62 ALDH1A1 (0.39) KDM4EALDH1A1CYP1A2CYP2C19MAPT
SCHEMBL7003839 0.61 KDM4E (0.38) KDM4ERECQLALDH1A1CYP1A2CYP2C19
SCHEMBL7003840 0.61 KDM4E (0.38) KDM4ERECQLALDH1A1CYP1A2CYP2C19
SCHEMBL13335914 0.60 ADRB2 (0.37) KDM4EALDH1A1BRD1BRPF1TAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8343956-B2 Process for making a crystalline zilpaterol salt INTERVET INTERNATIONAL B.V. (NL) 2013-01-01 US disclosed
US-20120058189-A1 PROCESS FOR MAKING A CRYSTALLINE ZILPATEROL SALT INTERVET INTERNATIONAL B.V. (NL) 2012-03-08 US 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-20120058189-A1 PROCESS FOR MAKING A CRYSTALLINE ZILPATEROL SALT ZFX, SLC39A11, ZNF277 KDM4E 2813/4885RECQL 4830/4885ALDH1A1 4450/4885

“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.