SCHEMBL9911362

SCHEMBL9911362

CCOC(=O)c1ccc(NC(C)C)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.60
HPGD P15428 2/20 0.59
RECQL P46063 1/20 0.59
CA1 P00915 2/20 0.58
CA2 P00918 2/20 0.58
TSHR P16473 1/20 0.58
CA12 O43570 1/20 0.58
ESR1 P03372 1/20 0.58
CA7 P43166 1/20 0.58
CA9 Q16790 1/20 0.58
ESR2 Q92731 1/20 0.58
CA14 Q9ULX7 1/20 0.58
SMN1; SMN2 Q16637 6/20 0.56
NPC1 O15118 4/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
MAPT P10636 2/20 0.56
GAA P10253 2/20 0.56
CASP3 P42574 1/20 0.56
TRPV1 Q8NER1 1/20 0.56

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
SCHEMBL6706829 0.85 SMN1; SMN2 (0.56) RAB9AHPGDRECQLCA1CA2
SCHEMBL6706826 0.85 SMN1; SMN2 (0.56) RAB9AHPGDRECQLCA1CA2
SCHEMBL28818049 0.85 CA1 (0.61) RAB9AHPGDRECQLCA1CA2
SCHEMBL8117431 0.83 RAB9A (0.61) RAB9AHPGDRECQLCA1CA2
SCHEMBL11202027 0.83 HTT (0.59) RAB9AHPGDRECQLCA1CA2
SCHEMBL11202026 0.83 HTT (0.59) RAB9AHPGDRECQLCA1CA2
SCHEMBL11955708 0.82 MEN1 (0.56) RAB9AHPGDCA1CA2TSHR
SCHEMBL12124929 0.82 RAB9A (0.69) RAB9AHPGDRECQLCA1CA2
SCHEMBL4416932 0.82 RAB9A (0.52) RAB9AHPGDRECQLCA1CA2
SCHEMBL11256349 0.82 SMN1; SMN2 (0.59) RAB9AHPGDRECQLSMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10329258-B2 CGAS in systemic lupus erythematosus (SLE) UNIVERSITY OF WASHINGTON (US) 2019-06-25 US disclosed
US-20180086713-A1 CGAS IN SYSTEMIC LUPUS ERYTHEMATOSUS (SLE) UNIVERSITY OF WASHINGTON 2018-03-29 US disclosed
US-20180086713-A1 CGAS IN SYSTEMIC LUPUS ERYTHEMATOSUS (SLE) UNIVERSITY OF WASHINGTON 2018-03-29 US disclosed
US-8198458-B2 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-12 US disclosed
US-20090143370-A1 Non-nucleoside Reverse Transcriptase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-04 US disclosed
US-7517998-B2 Benzothiazole or benzothiazine derivative of dipyrido(2,3;b:2',3'-e) diazepin-6-one; viricide against human t-cell leukemia/lymphoma virus BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2009-04-14 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 (3 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-20180086713-A1 CGAS IN SYSTEMIC LUPUS ERYTHEMATOSUS (SLE) STING1, IRF3, CGAS RAB9A 1851/4885HPGD 2333/4885RECQL 27/4885
US-10329258-B2 CGAS in systemic lupus erythematosus (SLE) STING1, IRF3, CGAS RAB9A 1851/4885HPGD 2333/4885RECQL 27/4885
US-20090143370-A1 Non-nucleoside Reverse Transcriptase Inhibitors RTF1, POLR1A, POLR1E RAB9A 3111/4885HPGD 826/4885RECQL 44/4885

“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.