SCHEMBL1542810

SCHEMBL1542810

CCOC(=O)c1ccc(NC2CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.64
MAPT P10636 3/20 0.59
NPC1 O15118 3/20 0.58
POLB P06746 1/20 0.56
HPGD P15428 3/20 0.56
RECQL P46063 1/20 0.56
ABL1 P00519 1/20 0.55
HTT P42858 1/20 0.55
RIN1 Q13671 1/20 0.55
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
TSHR P16473 1/20 0.55
ALDH1A1 P00352 1/20 0.54
TP53 P04637 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
ALOX15 P16050 1/20 0.54
CA12 O43570 1/20 0.54
ESR1 P03372 1/20 0.54

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
SCHEMBL771186 0.92 MAPT (0.66) RAB9AMAPTNPC1POLBHPGD
SCHEMBL12893939 0.90 RAB9A (0.57) RAB9AMAPTNPC1POLBHPGD
SCHEMBL12919546 0.87 ALDH1A1 (0.55) RAB9AMAPTNPC1POLBHPGD
SCHEMBL12893938 0.84 ALDH1A1 (0.52) RAB9AMAPTNPC1POLBHPGD
SCHEMBL31572050 0.83 ALDH1A1 (0.56) RAB9AMAPTNPC1HPGDHTT
SCHEMBL5121082 0.82 MAPT (0.55) RAB9AMAPTNPC1POLBHPGD
SCHEMBL14467294 0.81 ALDH1A1 (0.66) RAB9AMAPTNPC1ABL1HTT
SCHEMBL3976332 0.80 MAPT (0.90) RAB9AMAPTNPC1POLBABL1
SCHEMBL12124929 0.79 RAB9A (0.69) RAB9AMAPTNPC1POLBHPGD
SCHEMBL1542815 0.79 HCAR3 (0.61) RAB9AMAPTNPC1POLBCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220227765-A1 PYRIDO-INDOLE ANALOGUES AS GPX4 INHIBITORS ADRENAS THERAPEUTICS INC. 2022-07-21 US disclosed
WO-2021041539-A2 COMPOUNDS AND METHODS OF USE Ferro Therapeutics, Inc. (US) 2021-03-04 WO disclosed
WO-2021041539-A2 COMPOUNDS AND METHODS OF USE Ferro Therapeutics, Inc. (US) 2021-03-04 WO disclosed
US-8273773-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-09-25 US disclosed
EP-2307372-B1 HETEROCYCLIC ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2012-04-25 EP disclosed
EP-2307372-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2011-04-13 EP disclosed
WO-2010010017-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-01-28 WO disclosed
US-20100021423-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2010-01-28 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 (2 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-20220227765-A1 PYRIDO-INDOLE ANALOGUES AS GPX4 INHIBITORS GPX4, GPX1, AIFM2 RAB9A 4212/4885MAPT 3709/4885NPC1 2896/4885
US-20100021423-A1 Heterocyclic antiviral compounds POLR2A, RRM2B, RRP1B RAB9A 203/4885MAPT 4356/4885NPC1 972/4885

“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.