SCHEMBL10101480

SCHEMBL10101480

Cc1cccc(C(=O)NC(CO)C(C)C)c1N

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.41
CHRM1 P11229 1/20 0.39
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
CHRM2 P08172 1/20 0.37
GLA P06280 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KCNK3 O14649 2/20 0.37
GUCY1B2 O75343 1/20 0.37
GUCY1A2 P33402 1/20 0.37
GUCY1A1 Q02108 1/20 0.37
GUCY1B1 Q02153 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL21612254 0.83 ALDH1A1 (0.38) ALDH1A1KDM4ECHRM2MEN1KMT2A
SCHEMBL3194752 0.82 ALOX5 (0.49) ALDH1A1KDM4ECHRM2SMN1; SMN2
SCHEMBL21612251 0.79 HPGD (0.55) ALDH1A1GLAMEN1KMT2AHPGD
SCHEMBL27744255 0.75 ALDH1A1 (0.39) ALDH1A1KDM4ECHRM2GLAHPGD
SCHEMBL22492152 0.75 MEN1 (0.41) ALDH1A1KDM4ECHRM2MEN1KMT2A
SCHEMBL19435345 0.74 CLPP (0.56) ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL17571415 0.74 CLPP (0.56) ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL31301322 0.73 MEN1 (0.51) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL31038153 0.73 PLK1 (0.50) ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL635088 0.73 PLK1 (0.50) ALDH1A1KDM4EHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020008382-A1 PROCESS FOR PREPARATION OF ERIBULIN AND INTERMEDIATES THEREOF DR. REDDY’S LABORATORIES LIMITED (IN) 2020-01-09 WO disclosed
EP-2949652-B1 Intermediates for the preparation of halichondrin B EISAI R&D MAN CO LTD (JP) 2019-08-07 EP disclosed
US-RE46965-E1 Intermediates for the preparation of analogs of Halichondrin B EISAI R&D MANAGEMENT CO., LTD. (JP) 2018-07-24 US disclosed
US-9303050-B2 Intermediates for the preparation of analogs of Halichondrin B EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-04-05 US disclosed
EP-2949652-A1 Intermediates for the preparation of halichondrin B Eisai R&D Management Co., Ltd. (JP) 2015-12-02 EP disclosed
US-20150232490-A1 INTERMEDIATES FOR THE PREPARATION OF ANALOGS OF HALICHONDRIN B EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-08-20 US disclosed
EP-2522663-B1 Intermediates for the preparation of halichondrin B EISAI R&D MAN CO LTD (JP) 2015-04-01 EP disclosed
US-8975422-B2 Intermediates for the preparation of analogs of halichondrin B EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-03-10 US disclosed
US-RE45324-E1 Intermediates for the preparation of analogs of halichondrin B EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-01-06 US disclosed
US-8884031-B2 Intermediates for the preparation of analogs of halichondrin B EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-11-11 US disclosed
US-20140221635-A1 INTERMEDIATES FOR THE PREPARATION OF ANALOGS OF HALICHONDRIN B EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-08-07 US disclosed
US-20140163242-A1 INTERMEDIATES FOR THE PREPARATION OF ANALOGS OF HALICHONDRIN B EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-06-12 US disclosed
US-20130237711-A1 INTERMEDIATES FOR THE PREPARATION OF ANALOGS OF HALICHONDRIN B EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-09-12 US disclosed
US-8445701-B2 Intermediates for the preparation of analogs of halichondrin B EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-05-21 US disclosed
US-20120309988-A1 INTERMEDIATES FOR THE PREPARATION OF ANALOGS OF HALICHONDRIN B EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-12-06 US disclosed
EP-2522663-A1 Intermediates for the preparation of halichondrin B Eisai R&D Management Co., Ltd. (JP) 2012-11-14 EP disclosed
US-20120029213-A1 INTERMEDIATES FOR THE PREPARATION OF ANALOGS OF HALICHONDRIN B EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-02-02 US disclosed
US-7982060-B2 Intermediates for the preparation of analogs of Halichondrin B EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-07-19 US disclosed
US-20070244187-A1 Intermediates for the Preparation of Halichondrin B EISAI CO., LTD (JP) 2007-10-18 US disclosed
US-20070244187-A1 Intermediates for the Preparation of Halichondrin B EISAI CO., LTD (JP) 2007-10-18 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 (7 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-20070244187-A1 Intermediates for the Preparation of Halichondrin B CDK4, CCNB1, CDK14 CNR1 3459/4885CHRM1 4881/4885ALDH1A1 1657/4885
US-20130237711-A1 INTERMEDIATES FOR THE PREPARATION OF ANALOGS OF HALICHONDRIN B DHPS, BMP2, CDK11B CNR1 3579/4885CHRM1 4876/4885ALDH1A1 2475/4885
US-20140221635-A1 INTERMEDIATES FOR THE PREPARATION OF ANALOGS OF HALICHONDRIN B ACVR1B, ACVR2B, BMP2 CNR1 3906/4885CHRM1 4880/4885ALDH1A1 1912/4885
US-20120029213-A1 INTERMEDIATES FOR THE PREPARATION OF ANALOGS OF HALICHONDRIN B DHPS, BMP2, CDK11B CNR1 3579/4885CHRM1 4876/4885ALDH1A1 2475/4885
US-20120309988-A1 INTERMEDIATES FOR THE PREPARATION OF ANALOGS OF HALICHONDRIN B ACVR1B, ACVR2B, BMP2 CNR1 3906/4885CHRM1 4880/4885ALDH1A1 1912/4885
US-20150232490-A1 INTERMEDIATES FOR THE PREPARATION OF ANALOGS OF HALICHONDRIN B DHPS, BMP2, CDK11B CNR1 3579/4885CHRM1 4876/4885ALDH1A1 2475/4885
US-20140163242-A1 INTERMEDIATES FOR THE PREPARATION OF ANALOGS OF HALICHONDRIN B DHPS, BMP2, CDK11B CNR1 3579/4885CHRM1 4876/4885ALDH1A1 2475/4885

“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.