SCHEMBL4333687

SCHEMBL4333687

COc1cc(C)ccc1C(=O)NN

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.67
RAB9A P51151 6/20 0.50
NPC1 O15118 5/20 0.50
MAPT P10636 4/20 0.50
ALDH1A1 P00352 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
HPGD P15428 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
KDM4E B2RXH2 2/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
IDO1 P14902 1/20 0.50
TDO2 P48775 1/20 0.50
KCNMA1 Q12791 1/20 0.49
TP53 P04637 2/20 0.48
MITF O75030 1/20 0.48
GAA P10253 1/20 0.48
ACHE P22303 1/20 0.47
HTT P42858 2/20 0.46

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
SCHEMBL7716671 0.85 CTSD (0.51) CTSDRAB9ANPC1MAPTALDH1A1
SCHEMBL13294935 0.84 HDAC7 (0.53) CTSDRAB9ANPC1MAPTALDH1A1
SCHEMBL1003770 0.84 PLK1 (0.54) CTSDRAB9ANPC1MAPTALDH1A1
SCHEMBL5679153 0.83 ALDH1A1 (0.67) CTSDRAB9ANPC1MAPTALDH1A1
SCHEMBL966735 0.83 CTSD (0.62) CTSDNPC1MAPTALDH1A1KDM4E
SCHEMBL4939202 0.83 TP53 (0.66) CTSDRAB9ANPC1MAPTALDH1A1
SCHEMBL4338973 0.81 CTSD (0.60) CTSDRAB9ANPC1MAPTALDH1A1
SCHEMBL4338344 0.81 CTSD (0.65) CTSDRAB9ANPC1MAPTALDH1A1
SCHEMBL4345662 0.81 KDM4E (0.62) CTSDMAPTALDH1A1HPGDKDM4E
SCHEMBL23716794 0.81 CTSD (0.63) CTSDRAB9ANPC1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3116502-A1 METHODS AND COMPOSITIONS FOR INHIBITING RHO/MRTF-MEDIATED DISEASES AND CONDITIONS The Regents Of The University Of Michigan (US) 2017-01-18 EP disclosed
WO-2015138326-A1 METHODS AND COMPOSITIONS FOR INHIBITING RHO/MRTF-MEDIATED DISEASES AND CONDITIONS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2015-09-17 WO disclosed
WO-2015138326-A1 METHODS AND COMPOSITIONS FOR INHIBITING RHO/MRTF-MEDIATED DISEASES AND CONDITIONS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2015-09-17 WO disclosed
US-20150250769-A1 METHODS AND COMPOSITIONS FOR INHIBITING RHO/MRTF-MEDIATED DISEASES AND CONDITIONS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2015-09-10 US disclosed
US-20150250769-A1 METHODS AND COMPOSITIONS FOR INHIBITING RHO/MRTF-MEDIATED DISEASES AND CONDITIONS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2015-09-10 US disclosed
US-20150250769-A1 METHODS AND COMPOSITIONS FOR INHIBITING RHO/MRTF-MEDIATED DISEASES AND CONDITIONS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2015-09-10 US disclosed
WO-2009094205-A2 3-ARYL-6-ARYL-7H-[1,2,4]TRIAZOLO[3,4-B][1,3,4]THIADIAZINES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA, INC. (US) 2009-07-30 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-20150250769-A1 METHODS AND COMPOSITIONS FOR INHIBITING RHO/MRTF-MEDIATED DISEASES AND CONDITIONS RHOA, ARHGEF1, ARHGEF2 CTSD 2731/4885RAB9A 309/4885NPC1 954/4885

“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.