SCHEMBL20857045

SCHEMBL20857045

O=C(NCc1ccccc1)c1ccc(CN(C(=O)CCl)c2ccccc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.69
ALDH1A1 P00352 3/20 0.69
NPC1 O15118 2/20 0.69
HTT P42858 2/20 0.69
PAX8 Q06710 2/20 0.69
GLA P06280 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
JAK2 O60674 1/20 0.54
LTB4R2 Q9NPC1 1/20 0.54
HDAC6 Q9UBN7 7/20 0.54
HDAC2 Q92769 2/20 0.54
HDAC8 Q9BY41 2/20 0.54
HDAC1 Q13547 6/20 0.53
HPGD P15428 1/20 0.51
RNF4 P78317 1/20 0.51
LMNA P02545 1/20 0.50
EPHX2 P34913 1/20 0.50
NR1H4 Q96RI1 1/20 0.50
KDM4E B2RXH2 1/20 0.50
POLB P06746 1/20 0.50

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
SCHEMBL23257053 0.84 HDAC6 (0.52) RAB9AALDH1A1LTB4R2HDAC6HDAC2
SCHEMBL5452605 0.83 NPC1 (1.00) RAB9AALDH1A1NPC1HTTPAX8
SCHEMBL14025085 0.79 HDAC6 (0.68) RAB9AALDH1A1HDAC6HDAC2HDAC8
SCHEMBL22218111 0.78 HDAC6 (0.62) RAB9ALTB4R2HDAC6HDAC2HDAC8
SCHEMBL23257047 0.78 ESRRG (0.61) RAB9AALDH1A1NPC1HTTPAX8
SCHEMBL11900090 0.77 HDAC6 (0.85) RAB9AHDAC6HDAC2HDAC8HDAC1
SCHEMBL23257050 0.74 ESRRG (0.55) RAB9ANPC1SMN1; SMN2HDAC6HDAC2
SCHEMBL7342035 0.74 NPC1 (0.79) RAB9AALDH1A1NPC1HTTPAX8
SCHEMBL457082 0.73 HDAC6 (0.79) RAB9AALDH1A1HDAC6HDAC2HDAC8
SCHEMBL5226231 0.73 HDAC6 (0.72) RAB9AALDH1A1NPC1HTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200278355-A1 CONJUGATED PROTEINS AND USES THEREOF SCRIPPS RESEARCH INST (US) 2020-09-03 US disclosed
US-20200278355-A1 CONJUGATED PROTEINS AND USES THEREOF SCRIPPS RESEARCH INST (US) 2020-09-03 US disclosed
EP-3688472-A1 CONJUGATED PROTEINS AND USES THEREOF The Scripps Research Institute (US) 2020-08-05 EP disclosed
WO-2019067741-A1 CONJUGATED PROTEINS AND USES THEREOF THE SCRIPPS RESEARCH INSTITUTE (US) 2019-04-04 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-20200278355-A1 CONJUGATED PROTEINS AND USES THEREOF KEAP1, GSTK1, GSTM2 RAB9A 2876/4885ALDH1A1 1225/4885NPC1 3624/4885

“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.