SCHEMBL855339

SCHEMBL855339

O=C(c1cccnc1Cl)N1CCOCC1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.60
SMN1; SMN2 Q16637 6/20 0.55
ALDH1A1 P00352 4/20 0.55
CYP2C19 P33261 1/20 0.55
HTT P42858 1/20 0.53
KDM4E B2RXH2 2/20 0.53
MAPT P10636 2/20 0.53
GAA P10253 1/20 0.52
LMNA P02545 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
TSHR P16473 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
SCHEMBL30073359 1.00 POLB (0.60) POLBSMN1; SMN2ALDH1A1CYP2C19HTT
SCHEMBL1865263 0.84 POLB (0.63) POLBSMN1; SMN2ALDH1A1CYP2C19HTT
SCHEMBL1976542 0.83 POLB (0.65) POLBSMN1; SMN2ALDH1A1CYP2C19KDM4E
SCHEMBL2002157 0.83 POLB (0.61) POLBSMN1; SMN2ALDH1A1CYP2C19KDM4E
SCHEMBL28941346 0.82 MAPT (0.54) SMN1; SMN2HTTKDM4EMAPTGAA
SCHEMBL12844486 0.82 SMN1; SMN2 (0.55) POLBSMN1; SMN2ALDH1A1HTTKDM4E
SCHEMBL12833234 0.82 RXFP1 (0.63) POLBSMN1; SMN2ALDH1A1CYP2C19KDM4E
SCHEMBL13116745 0.81 ALDH1A1 (0.68) POLBSMN1; SMN2ALDH1A1HTTKDM4E
SCHEMBL13149251 0.81 ALDH1A1 (0.68) POLBSMN1; SMN2ALDH1A1CYP2C19KDM4E
SCHEMBL12141974 0.79 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1HTTKDM4EMAPT

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116003409-A Substituted pyrrolopyridines as bromodomain inhibitors 基因泰克公司 2023-04-25 CN disclosed
CN-107207493-B Substituted pyrrolopyridines as bromodomain inhibitors 基因泰克公司 2023-01-20 CN disclosed
CN-115583947-A Substituted pyrrolopyridines as bromodomain inhibitors 基因泰克公司 2023-01-10 CN disclosed
EP-3218375-B1 SUBSTITUTED PYRROLOPYRDINES AS INHIBITORS OF BROMODOMAIN GENENTECH INC (US) 2022-04-27 EP disclosed
EP-3218375-B1 SUBSTITUTED PYRROLOPYRDINES AS INHIBITORS OF BROMODOMAIN GENENTECH INC (US) 2022-04-27 EP disclosed
US-10183009-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-01-22 US disclosed
US-10183009-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-01-22 US disclosed
US-20170340605-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 US disclosed
US-20170340605-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 US disclosed
US-20170340605-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 US disclosed
US-7642251-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-05 US disclosed
EP-2133340-A1 Novel benzazepine derivatives Glaxo Group Limited (GB) 2009-12-16 EP disclosed
EP-1572215-B1 BENZO[D]AZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS GLAXO GROUP LTD (GB) 2009-09-02 EP disclosed
WO-2009023487-A1 TETRACYCLIC COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2009-02-19 WO disclosed
US-20090042860-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2009-02-12 US disclosed
US-20080139572-A1 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY 2008-06-12 US disclosed
US-20080139572-A1 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY 2008-06-12 US disclosed
WO-2007127635-A2 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-08 WO disclosed
US-20070249579-A1 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY 2007-10-25 US disclosed
US-20070249579-A1 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY 2007-10-25 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 (5 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-10183009-B2 Therapeutic compounds and uses thereof BRD4, BRDT, BRPF3 POLB 977/4885SMN1; SMN2 1340/4885ALDH1A1 2006/4885
US-20170340605-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRPF3 POLB 977/4885SMN1; SMN2 1340/4885ALDH1A1 2006/4885
US-20080139572-A1 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS EIF2AK2, DCK, MAVS POLB 234/4885SMN1; SMN2 3945/4885ALDH1A1 1424/4885
US-20070249579-A1 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS EIF2AK2, DCK, MAVS POLB 234/4885SMN1; SMN2 3945/4885ALDH1A1 1424/4885
US-20090042860-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 POLB 1276/4885SMN1; SMN2 3925/4885ALDH1A1 163/4885

“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.