SCHEMBL967889

SCHEMBL967889

O=C(c1ccc(Br)cc1)N1CCOCC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.70
PHGDH O43175 2/20 0.69
MGLL Q99685 1/20 0.68
TSHR P16473 2/20 0.62
AKR1C3 P42330 2/20 0.61
KMT2A Q03164 3/20 0.61
MAPT P10636 2/20 0.61
GAA P10253 1/20 0.61
L3MBTL1 Q9Y468 2/20 0.59
MAPK1 P28482 1/20 0.59
KDM4E B2RXH2 1/20 0.59
ALDH1A1 P00352 1/20 0.59
HTT P42858 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
POLB P06746 2/20 0.59
DNMT1 P26358 1/20 0.58
PTPN7 P35236 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
PKM P14618 1/20 0.58
MLYCD O95822 1/20 0.58

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
SCHEMBL969802 0.93 HPGD (0.72) HPGDPHGDHMGLLTSHRAKR1C3
SCHEMBL27797088 0.92 PHGDH (0.64) HPGDPHGDHMGLLTSHRAKR1C3
SCHEMBL10720943 0.90 PHGDH (0.81) HPGDPHGDHTSHRAKR1C3KMT2A
SCHEMBL28296651 0.85 HPGD (0.86) HPGDPHGDHTSHRAKR1C3KMT2A
SCHEMBL2199279 0.83 PHGDH (0.71) HPGDPHGDHTSHRAKR1C3KMT2A
SCHEMBL4696938 0.83 HPGD (0.72) HPGDPHGDHTSHRAKR1C3KMT2A
SCHEMBL971083 0.82 HPGD (1.00) HPGDTSHRKMT2AMAPTL3MBTL1
SCHEMBL644199 0.82 HPGD (0.92) HPGDMGLLKMT2AMAPTL3MBTL1
SCHEMBL17974502 0.82 PHGDH (0.71) PHGDHMGLLTSHRAKR1C3KMT2A
SCHEMBL103440 0.81 PHGDH (0.69) HPGDPHGDHTSHRAKR1C3KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-7165693-A None JP disclosed
CN-115003671-B JNK inhibitors, pharmaceutical compositions and uses thereof 武汉朗来科技发展有限公司 2024-08-06 CN disclosed
US-20230365546-A1 5-SUBSTITUTED INDOLE 3-AMIDE DERIVATIVES, PREPARATION METHOD AND USE THEREOF ORIGIANT PHARMACEUTICAL CO., LTD (CN) 2023-11-16 US disclosed
EP-4212525-A1 5-SUBSTITUTED INDOLE 3-AMIDE DERIVATIVE, PREPARATION METHOD AND USE THEREOF Origiant Pharmaceutical Co., Ltd (CN) 2023-07-19 EP disclosed
US-11608334-B2 Pyrrolo-aromatic heterocyclic compound, preparation method therefor, and medical use thereof The National Institutes of Pharmaceutical R&D Co., Ltd. (CN) 2023-03-21 US disclosed
WO-2022253311-A1 HPK1 INHIBITOR AND USE THEREOF 武汉人福创新药物研发中心有限公司 2022-12-08 WO disclosed
WO-2022253311-A1 HPK1 INHIBITOR AND USE THEREOF 武汉人福创新药物研发中心有限公司 2022-12-08 WO disclosed
CN-115433184-A HPK1 inhibitor and application thereof 武汉人福创新药物研发中心有限公司 2022-12-06 CN disclosed
CN-115003671-A JNK inhibitors, pharmaceutical compositions and uses thereof 武汉朗来科技发展有限公司 2022-09-02 CN disclosed
WO-2022166920-A1 PYRROLOPYRIDAZINE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 杭州中美华东制药有限公司 2022-08-11 WO disclosed
WO-2010005841-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2010-01-14 WO disclosed
EP-2141148-A1 INDOLE DERIVATIVE HAVING CPLA2 INHIBITORY ACTIVITY, USE OF THE SAME AND METHOD FOR PRODUCING THE SAME Asubio Pharma Co., Ltd. (JP) 2010-01-06 EP disclosed
US-20090156512-A1 potent activity against resistant pneumococci MEIJI SEIKA KAISHA, LTD. (JP) 2009-06-18 US disclosed
EP-1970377-A1 LINCOMYCIN DERIVATIVE AND ANTIBACTERIAL AGENT CONTAINING THE SAME AS ACTIVE INGREDIENT MEIJI SEIKA KAISHA LTD. (JP) 2008-09-17 EP disclosed
US-20080070928-A1 Novel 2-Heteroaryl-Substituted Benzimidazole Derivative MSD K.K. (JP) 2008-03-20 US disclosed
US-7115658-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase AGOURON PHARMACEUTICALS, INC. (US) 2006-10-03 US disclosed
EP-1702919-A1 NOVEL 2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-09-20 EP disclosed
US-20040023958-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same AGOURON PHARMACEUTICALS, INC. 2004-02-05 US disclosed
WO-2003095441-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME PFIZER INC. (US) 2003-11-20 WO disclosed
JP-H07165693-A AMIDRAZONE COMPOUND AND INSECTICIDAL COMPOSITION CONTAINING IT ROHM & HAAS CO 1995-06-27 JP 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-20230365546-A1 5-SUBSTITUTED INDOLE 3-AMIDE DERIVATIVES, PREPARATION METHOD AND USE THEREOF RIPK1, RIPK3, RIPK2 HPGD 1393/4885PHGDH 2553/4885MGLL 4492/4885
US-11608334-B2 Pyrrolo-aromatic heterocyclic compound, preparation method therefor, and medical use thereof BTK, SYK, ITK HPGD 1268/4885PHGDH 2849/4885MGLL 2903/4885
US-20090156512-A1 potent activity against resistant pneumococci H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NAT1, NPM1 HPGD 2051/4885PHGDH 2457/4885MGLL 2362/4885
US-20040023958-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same POLRMT, RNGTT, RNASE1 HPGD 1963/4885PHGDH 1593/4885MGLL 1286/4885
US-20080070928-A1 Novel 2-Heteroaryl-Substituted Benzimidazole Derivative GCK, GCKR, HK1 HPGD 3233/4885PHGDH 1904/4885MGLL 1790/4885

“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.