SCHEMBL3070176

SCHEMBL3070176

COCCCOc1ccccc1[N+](=O)[O-]

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.74
NPC1 O15118 3/20 0.74
RECQL P46063 2/20 0.74
KMT2A Q03164 3/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
ALDH1A1 P00352 8/20 0.61
LMNA P02545 2/20 0.61
MAPT P10636 4/20 0.61
HTT P42858 3/20 0.61
HPGD P15428 2/20 0.61
TDP1 Q9NUW8 1/20 0.61
MEN1 O00255 2/20 0.57
KDM4E B2RXH2 1/20 0.57
MAPK1 P28482 1/20 0.57
CYP1A2 P05177 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C19 P33261 1/20 0.55
L3MBTL1 Q9Y468 3/20 0.54
POLB P06746 1/20 0.52

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
SCHEMBL1340747 0.92 RAB9A (0.83) RAB9ANPC1RECQLKMT2ASMN1; SMN2
SCHEMBL9642715 0.91 NPC1 (0.89) RAB9ANPC1RECQLKMT2ASMN1; SMN2
SCHEMBL14839601 0.87 ALDH1A1 (0.76) RAB9ANPC1RECQLKMT2ASMN1; SMN2
SCHEMBL10582387 0.87 ALDH1A1 (0.76) RAB9ANPC1RECQLKMT2ASMN1; SMN2
SCHEMBL9187561 0.86 NPC1 (1.00) RAB9ANPC1RECQLKMT2ASMN1; SMN2
SCHEMBL3463529 0.85 NPC1 (0.77) RAB9ANPC1RECQLKMT2ASMN1; SMN2
SCHEMBL1340160 0.83 NPC1 (0.74) RAB9ANPC1RECQLKMT2ASMN1; SMN2
SCHEMBL12497335 0.83 RAB9A (0.68) RAB9ANPC1RECQLKMT2ASMN1; SMN2
SCHEMBL3451500 0.83 NPC1 (0.79) RAB9ANPC1RECQLKMT2ASMN1; SMN2
SCHEMBL3464612 0.83 NPC1 (0.79) RAB9ANPC1RECQLKMT2ASMN1; 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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10913714-B2 Pyrrole sulfonyl derivative, preparation method and medical use thereof JIANGSU CAREPHAR PHARMACEUTICAL CO., LTD (CN) 2021-02-09 US disclosed
EP-3694856-A1 FUSED TRICYCLIC COMPOUNDS AND USES THEREOF IN MEDICINE Sunshine Lake Pharma Co., Ltd. (CN) 2020-08-19 EP disclosed
CN-107207432-B Pyrroles's sulphonyl analog derivative, preparation method and its application in medicine 江苏柯菲平医药股份有限公司 2019-09-17 CN disclosed
EP-3248963-B1 PYRROLE SULFONYL DERIVATIVE, AND PREPARATION METHOD AND MEDICAL USE THEREOF JIANGSU CAREPHAR PHARMACEUTICAL CO LTD (CN) 2019-07-17 EP disclosed
WO-2019100735-A1 FUSED TRICYCLIC COMPOUNDS AND USES THEREOF IN MEDICINE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2019-05-31 WO disclosed
WO-2018219356-A1 FUSED TRICYCLIC COMPOUNDS AND USES THEREOF IN MEDICINE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2018-12-06 WO disclosed
US-20180009749-A1 Pyrrole Sulfonyl Derivative, Preparation Method and Medical Use thereof JIANGSU CAREFREE PHARMACEUTICAL CO., LTD (CN) 2018-01-11 US disclosed
EP-3248963-A1 PYRROLE SULFONYL DERIVATIVE, AND PREPARATION METHOD AND MEDICAL USE THEREOF Jiangsu Carephar Pharmaceutical Co., Ltd (CN) 2017-11-29 EP disclosed
CN-107207432-A Pyrroles's sulphonyl analog derivative, its preparation method and its in application pharmaceutically 江苏柯菲平医药股份有限公司 2017-09-26 CN disclosed
CN-105985278-A Pyrrole sulfonyl derivatives, preparation method and medicinal application thereof 江苏柯菲平医药股份有限公司 2016-10-05 CN disclosed
US-7842688-B2 Organic compounds NOVARTIS PHARMA AG (CH) 2010-11-30 US disclosed
US-7790715-B2 Organic compounds NOVARTIS AG (CH) 2010-09-07 US disclosed
US-20090012055-A1 Organic compounds HEROLD PETER 2009-01-08 US disclosed
EP-1961752-A2 Piperidine Compounds Speedel Experimenta AG (CH) 2008-08-27 EP disclosed
US-20070010511-A1 Organic compounds NOVARTIS PHARMA AG (CH) 2007-01-11 US disclosed
EP-1670760-A1 ORGANIC COMPOUNDS Speedel Experimenta AG (CH) 2006-06-21 EP disclosed
WO-2005061457-A1 ORGANIC COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2005-07-07 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 (4 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-20090012055-A1 Organic compounds REN, ACE, ACE2 RAB9A 1066/4885NPC1 794/4885RECQL 2060/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 RAB9A 1066/4885NPC1 794/4885RECQL 2060/4885
US-20180009749-A1 Pyrrole Sulfonyl Derivative, Preparation Method and Medical Use thereof GIPR, PGC, ABCB11 RAB9A 682/4885NPC1 2018/4885RECQL 2743/4885
US-10913714-B2 Pyrrole sulfonyl derivative, preparation method and medical use thereof GIPR, PGC, ABCB11 RAB9A 682/4885NPC1 2018/4885RECQL 2743/4885

“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.