SCHEMBL2768466

SCHEMBL2768466

O=C(NCc1ccco1)c1cccc2c1C=Cc1cccc3[nH]nc-2c13

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.47
TDP1 Q9NUW8 2/20 0.46
PKM P14618 2/20 0.46
HPGD P15428 7/20 0.45
POLB P06746 4/20 0.44
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HTT P42858 2/20 0.44
ALDH1A1 P00352 3/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPK8 P45983 1/20 0.41
HSD17B10 Q99714 2/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41

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
SCHEMBL2768451 0.79 NPSR1 (0.47) NPSR1TDP1PKMHPGDPOLB
SCHEMBL2768496 0.77 KDR (0.43) POLBMAPTALDH1A1LMNAKDM4E
SCHEMBL2768537 0.76 KDR (0.49) NPSR1HPGDPOLBMAPTSMN1; SMN2
SCHEMBL2769349 0.72 ALDH1A1 (0.47) NPSR1TDP1PKMHPGDPOLB
SCHEMBL4339183 0.67 HPGD (0.48) NPSR1TDP1HPGDPOLBMAPT
SCHEMBL4342267 0.67 HPGD (0.50) NPSR1TDP1PKMHPGDPOLB
SCHEMBL7125716 0.66 HPGD (0.56) NPSR1TDP1PKMHPGDPOLB
SCHEMBL4239974 0.66 HPGD (0.56) NPSR1TDP1HPGDPOLBMAPT
SCHEMBL4341196 0.66 MEN1 (0.49) NPSR1TDP1HPGDMAPTSMN1; SMN2
SCHEMBL2770623 0.66 KDR (0.56) HPGDPOLBMAPTALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150313881-A1 Therapeutic Methods for Type I Diabetes UNIVERSITY OF MASSACHUSETTS 2015-11-05 US disclosed
US-20150313881-A1 Therapeutic Methods for Type I Diabetes UNIVERSITY OF MASSACHUSETTS 2015-11-05 US disclosed
US-8501812-B2 Therapeutic methods for type I diabetes UNIVERSITY OF MASSACHUSETTS (US) 2013-08-06 US disclosed
US-8501812-B2 Therapeutic methods for type I diabetes UNIVERSITY OF MASSACHUSETTS (US) 2013-08-06 US disclosed
US-20120208846-A1 Therapeutic Methods For Type I Diabetes UNIVERSITY OF MASSACHUSETTS 2012-08-16 US disclosed
US-20120208846-A1 Therapeutic Methods For Type I Diabetes UNIVERSITY OF MASSACHUSETTS 2012-08-16 US disclosed
US-7897572-B1 Theraputic methods for type I diabetes UNIVERSITY OF MASSACHUSETTS MEDICAL SCHOOL (US) 2011-03-01 US disclosed
US-7897572-B1 Theraputic methods for type I diabetes UNIVERSITY OF MASSACHUSETTS MEDICAL SCHOOL (US) 2011-03-01 US disclosed
EP-1479670-B1 NOVEL FUSED RING INDAZOLE COMPOUNDS EISAI R&D MAN CO LTD (JP) 2010-04-21 EP disclosed
EP-1479670-B1 NOVEL FUSED RING INDAZOLE COMPOUNDS EISAI R&D MAN CO LTD (JP) 2010-04-21 EP disclosed
US-7390797-B2 Fused indazole compounds EISAI CO., LTD. (JP) 2008-06-24 US disclosed
US-7390797-B2 Fused indazole compounds EISAI CO., LTD. (JP) 2008-06-24 US disclosed
US-7390797-B2 Fused indazole compounds EISAI CO., LTD. (JP) 2008-06-24 US disclosed
WO-2006104983-A1 THERAPEUTIC METHODS FOR TYPE I DIABETES UNIVERSITY OF MASSACHUSETTS MEDICAL SCHOOL (US) 2006-10-05 WO disclosed
US-20060111419-A1 Novel fused indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-05-25 US disclosed
EP-1479670-A1 NOVEL FUSED RING INDAZOLE COMPOUNDS Eisai Co., Ltd. (JP) 2004-11-24 EP 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-20060111419-A1 Novel fused indazole compounds MAP2K3, MAP3K11, MAP2K2 NPSR1 3408/4885TDP1 3834/4885PKM 3185/4885
US-20150313881-A1 Therapeutic Methods for Type I Diabetes MAPK9, IAPP, RNASE1 NPSR1 4377/4885TDP1 2473/4885PKM 1290/4885
US-20120208846-A1 Therapeutic Methods For Type I Diabetes MAPK9, IAPP, RNASE1 NPSR1 4377/4885TDP1 2473/4885PKM 1290/4885

“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.