SCHEMBL807757

SCHEMBL807757

CCOC(=O)NCCc1ccccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.54
CNR1 P21554 1/20 0.52
HDAC3 O15379 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52
NCOR2 Q9Y618 1/20 0.52
ALDH1A1 P00352 3/20 0.52
HPGD P15428 1/20 0.52
TAAR1 Q96RJ0 1/20 0.51
GLA P06280 1/20 0.51
KMT2A Q03164 1/20 0.51
TRPV1 Q8NER1 1/20 0.49

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
SCHEMBL15468130 1.00 HIF1A (0.54) HIF1ACNR1HDAC3HDAC4HDAC1
SCHEMBL17442696 0.86 HIF1A (0.57) HIF1ACNR1TAAR1TRPV1PLAAT3
SCHEMBL6331300 0.84 NPC1 (0.62) ALDH1A1HPGDKMT2ATSHRSMN1; SMN2
SCHEMBL13034051 0.82 CNR1 (0.57) CNR1ALDH1A1HPGDKMT2ATRPV1
SCHEMBL14224543 0.82 SMN1; SMN2 (0.49) CNR1HDAC3HDAC4HDAC1HDAC7
SCHEMBL11306449 0.82 HDAC3 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1821309 0.81 HIF1A (0.50) HIF1ACNR1ALDH1A1HPGDTAAR1
SCHEMBL1820623 0.81 LMNA (0.61) HIF1ACNR1ALDH1A1HPGDTAAR1
SCHEMBL10286238 0.81 MTNR1A (0.68) CNR1ALDH1A1HPGDTAAR1GLA
SCHEMBL15467970 0.81 MTNR1A (0.68) CNR1ALDH1A1HPGDTAAR1GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8946260-B2 17α-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2015-02-03 US disclosed
US-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2014-02-13 US disclosed
WO-2012035078-A1 17α-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2012-03-22 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-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS CYP17A1, CYP21A2, HSD17B1 HIF1A 698/4885CNR1 1362/4885HDAC3 550/4885

“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.