SCHEMBL1521239

SCHEMBL1521239

NOCc1nc2ccccc2s1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.67
SMN1; SMN2 Q16637 6/20 0.67
RAB9A P51151 6/20 0.67
L3MBTL1 Q9Y468 5/20 0.67
UBE2T Q9NPD8 1/20 0.67
ASIC3 Q9UHC3 1/20 0.67
MAPK1 P28482 1/20 0.67
CYP1A2 P05177 2/20 0.61
CYP2C19 P33261 2/20 0.61
MAPT P10636 6/20 0.59
KMT2A Q03164 3/20 0.59
HPGD P15428 3/20 0.59
HSD17B10 Q99714 1/20 0.59
PKM P14618 1/20 0.59
HTT P42858 1/20 0.55
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
TSHR P16473 1/20 0.51

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
SCHEMBL660014 0.83 MAPT (0.67) NPC1SMN1; SMN2RAB9AL3MBTL1UBE2T
2-(Phenoxymethyl)Benzothiazole SCHEMBL2245843 0.80 NPC1 (1.00) NPC1SMN1; SMN2RAB9AL3MBTL1UBE2T
SCHEMBL10881697 0.80 KMT2A (0.63) NPC1SMN1; SMN2RAB9AL3MBTL1UBE2T
SCHEMBL244775 0.80 UBE2T (1.00) NPC1SMN1; SMN2RAB9AL3MBTL1UBE2T
SCHEMBL20511910 0.80 CYP1A2 (0.73) NPC1SMN1; SMN2RAB9AL3MBTL1UBE2T
SCHEMBL19372016 0.79 UBE2T (0.70) NPC1SMN1; SMN2RAB9AL3MBTL1UBE2T
SCHEMBL226465 0.79 UBE2T (0.70) NPC1SMN1; SMN2RAB9AL3MBTL1UBE2T
SCHEMBL13314539 0.79 NPC1 (0.59) NPC1SMN1; SMN2RAB9AL3MBTL1UBE2T
SCHEMBL324660 0.79 SMN1; SMN2 (0.59) NPC1SMN1; SMN2RAB9AL3MBTL1UBE2T
SCHEMBL7541252 0.79 NPC1 (0.77) NPC1SMN1; SMN2RAB9AL3MBTL1UBE2T

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130289083-A1 IDO Inhibitors NEWLINK GENETICS CORPORATION 2013-10-31 US claimed
EP-2227233-B1 IDO INHIBITORS NEWLINK GENETICS (US) 2013-02-13 EP claimed
US-20110053941-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-03-03 US claimed
EP-2227233-A2 IDO INHIBITORS Newlink Genetics (US) 2010-09-15 EP claimed
WO-2009073620-A2 IDO INHIBITORS NEWLINK GENETICS (US) 2009-06-11 WO claimed
WO-2019051198-A1 PRODRUG INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE 1 (IDO1) LANKENAU INSTITUTE FOR MEDICAL RESEARCH (US) 2019-03-14 WO disclosed
CN-103145643-B Aminothiazole compound dehydration and alkylation method UNIV WENZHOU 2015-04-15 CN disclosed
US-20130289083-A1 IDO Inhibitors NEWLINK GENETICS CORPORATION 2013-10-31 US disclosed
CN-103145643-A Aminothiazole compound dehydration and alkylation method UNIV WENZHOU 2013-06-12 CN disclosed
EP-2227233-B1 IDO INHIBITORS NEWLINK GENETICS (US) 2013-02-13 EP disclosed
US-20110053941-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-03-03 US disclosed
US-20110053941-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-03-03 US disclosed
US-20110053941-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-03-03 US disclosed
US-20070042975-A1 Novel indolopyrrolocarbazole derivative with antitumor activity BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-02-22 US disclosed
EP-1666485-A1 NOVEL INDOLOPYRROLOCARBAZOLE DERIVATIVE WITH ANTITUMOR ACTIVITY BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-06-07 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-20110053941-A1 IDO Inhibitors IDO1, IDO2, INMT NPC1 3462/4885SMN1; SMN2 4672/4885RAB9A 4328/4885
US-20070042975-A1 Novel indolopyrrolocarbazole derivative with antitumor activity HK1, G6PD, HK2 NPC1 2231/4885SMN1; SMN2 4309/4885RAB9A 3792/4885
US-20130289083-A1 IDO Inhibitors IDO1, IDO2, INMT NPC1 3727/4885SMN1; SMN2 4556/4885RAB9A 4202/4885

“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.