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SCHEMBL1844787

SCHEMBL1844787

CC1(C)OB(c2cnc(N3CCN(C(=O)O)CC3)nc2)OC1(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.38
▸ USP30 Q70CQ3 1/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ SLC6A7 Q99884 4/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ TSHR P16473 2/20 0.36
▸ DGAT1 O75907 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ PKM P14618 2/20 0.36
▸ PDGFRB P09619 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ NR1H2 P55055 1/20 0.35
▸ NR1H3 Q13133 1/20 0.35
▸ FFAR1 O14842 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL31645686 0.86 USP30 (0.36) POLBUSP30MEN1KMT2ASLC6A7
SCHEMBL25175446 0.84 DGAT1 (0.35) USP30ALDH1A1TSHRDGAT1PDGFRB
SCHEMBL31645406 0.84 USP30 (0.35) POLBUSP30MEN1KMT2ASLC6A7
SCHEMBL1292021 0.83 USP30 (0.42) USP30MEN1KMT2AALDH1A1DGAT1
SCHEMBL1075234 0.83 USP30 (0.53) USP30MEN1KMT2AALDH1A1TSHR
SCHEMBL1292596 0.83 DGAT1 (0.38) POLBUSP30MEN1KMT2ADGAT1
SCHEMBL1484840 0.81 HTR3A (0.41) KMT2AALDH1A1TSHRCYP1A2HSD17B10
SCHEMBL2188747 0.81 FFAR1 (0.37) POLBUSP30MEN1KMT2AALDH1A1
SCHEMBL23797377 0.81 FFAR1 (0.37) POLBUSP30ALDH1A1TSHRDGAT1
SCHEMBL23150553 0.81 SRC (0.36) POLBUSP30MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210309658-A1 ARYL COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION HOFFMANN-LA ROCHE INC. (US) 2021-10-07 — — US disclosed
WO-2016124508-A1 9H-PYRROLO-DIPYRIDINE DERIVATIVES UCB BIOPHARMA SPRL (BE) 2016-08-11 — — WO disclosed
US-20110166088-A1 BENZOTHIAZOLES AND AZA-ANALOGUES THEREOF USE AS ANTIBACTERIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2011-07-07 — — US disclosed
EP-2321309-A1 BENZOTHIAZOLES AND AZA-ANALOGUES THEREOF USE AS ANTIBACTERIAL AGENTS Ranbaxy Laboratories Limited (IN) 2011-05-18 — — EP disclosed
WO-2009156966-A1 BENZOTHIAZOLES AND AZA-ANALOGUES THEREOF USE AS ANTIBACTERIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2009-12-30 — — 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 (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-20110166088-A1 BENZOTHIAZOLES AND AZA-ANALOGUES THEREOF USE AS ANTIBACTERIAL AGENTS TOP2B, TOP1, POLI POLB 5/4885USP30 2455/4885MEN1 4372/4885
US-20210309658-A1 ARYL COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION CFTR, QDPR, FPR1 POLB 1588/4885USP30 4140/4885MEN1 1685/4885

“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.