SCHEMBL395055

SCHEMBL395055

CC(C)(C)c1ccc([N+](=O)[O-])cc1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
HTT P42858 2/20 0.50
MEN1 O00255 1/20 0.50
GALR3 O60755 1/20 0.50
KMT2A Q03164 1/20 0.50
ALDH1A1 P00352 6/20 0.47
CYP3A4 P08684 4/20 0.47
TDP1 Q9NUW8 3/20 0.47
TSHR P16473 4/20 0.46
NR1H4 Q96RI1 2/20 0.43
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.41
HSD17B10 Q99714 2/20 0.41
ACHE P22303 2/20 0.41
GLA P06280 1/20 0.41
POLB P06746 1/20 0.40
PTPRC P08575 1/20 0.40
S100A4 P26447 1/20 0.40
PDE2A O00408 1/20 0.39

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
SCHEMBL30279254 1.00 SMN1; SMN2 (0.50) SMN1; SMN2L3MBTL1HTTMEN1GALR3
SCHEMBL25784184 0.85 SMN1; SMN2 (0.55) SMN1; SMN2L3MBTL1HTTMEN1GALR3
SCHEMBL11654599 0.82 SMN1; SMN2 (0.60) SMN1; SMN2L3MBTL1HTTMEN1GALR3
SCHEMBL2013672 0.82 GAA (0.43) SMN1; SMN2L3MBTL1HTTMEN1GALR3
SCHEMBL1684443 0.82 POLB (0.42) SMN1; SMN2L3MBTL1HTTMEN1GALR3
SCHEMBL2814724 0.82 ALDH1A1 (0.41) SMN1; SMN2L3MBTL1HTTMEN1GALR3
SCHEMBL15123102 0.81 PDE7A (0.47) ALDH1A1CYP3A4TDP1TSHRLMNA
SCHEMBL30619342 0.81 PDE7A (0.47) ALDH1A1CYP3A4TDP1TSHRLMNA
SCHEMBL446475 0.79 TDP1 (0.55) SMN1; SMN2L3MBTL1HTTMEN1GALR3
SCHEMBL10176626 0.79 ALDH1A1 (0.62) SMN1; SMN2L3MBTL1HTTMEN1GALR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015022282-A1 NITROGEN-DOPED CARBON NANOTUBES AS HIGH SELECTIVE NOBLE METAL-FREE CATALYSTS FOR HYDROGENATION OF FUNCTIONALIZED NITROAROMATICS BAYER CROPSCIENCE AG (DE) 2015-02-19 WO claimed
EP-2837612-A1 Nitrogen-doped carbon nanotubes as high selective noble metal-free catalysts for hydrogenation of functionalized nitroaromatics Bayer Technology Services GmbH (DE) 2015-02-18 EP claimed
US-20240360114-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2024-10-31 US disclosed
CN-118076581-A Iron death modulators, their preparation and use 维泰瑞隆有限公司 2024-05-24 CN disclosed
CN-107501099-B Modulators of ATP-binding cassette transporters 沃泰克斯药物股份有限公司 2021-03-19 CN disclosed
EP-3705477-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2020-09-09 EP disclosed
US-10662192-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-05-26 US disclosed
EP-3216787-B1 INTERMEDIATES FOR THE PREPARATION OF MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2020-02-19 EP disclosed
US-20190144450-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-05-16 US disclosed
US-20180319812-A1 HETEROCYCLIC COMPOUND ACTION MEDICAL TECHNOLOGIES, LLC 2018-11-08 US disclosed
US-10053468-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-08-21 US disclosed
EP-1254138-A1 PYRIDINE DERIVATIVES INHIBITING ANGIOGENESIS AND/OR VEGF RECEPTOR TYROSINE KINASE Novartis AG (CH) 2002-11-06 EP disclosed
US-20020147198-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2002-10-10 US disclosed
WO-2002068406-A2 SUBSTITUTED AMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF ANGIOGENESIS AMGEN INC. (US) 2002-09-06 WO disclosed
WO-2002066470-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2002-08-29 WO disclosed
WO-2002055501-A2 N-PYRIDYL CARBOXAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AMGEN INC (US) 2002-07-18 WO disclosed
EP-1165085-A1 PHTHALAZINE DERIVATIVES FOR TREATING INFLAMMATORY DISEASES Novartis AG (CH) 2002-01-02 EP disclosed
WO-2001058899-A1 PYRIDINE DERIVATIVES INHIBITING ANGIOGENESIS AND/OR VEGF RECEPTOR TYROSINE KINASE NOVARTIS AG (CH) 2001-08-16 WO disclosed
WO-2000059509-A1 PHTHALAZINE DERIVATIVES FOR TREATING INFLAMMATORY DISEASES NOVARTIS AG (CH) 2000-10-12 WO disclosed
US-3962307-A HERBICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-06-08 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 (6 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-20190144450-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 SMN1; SMN2 4837/4885L3MBTL1 3552/4885HTT 1579/4885
US-10053468-B2 Heterocyclic compound RORC, RORB, RORA SMN1; SMN2 4127/4885L3MBTL1 3470/4885HTT 3521/4885
US-20180319812-A1 HETEROCYCLIC COMPOUND RORC, RORB, RORA SMN1; SMN2 4127/4885L3MBTL1 3470/4885HTT 3521/4885
US-20240360114-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF AIFM2, GPX1, GPX4 SMN1; SMN2 1343/4885L3MBTL1 1984/4885HTT 1377/4885
US-10662192-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 SMN1; SMN2 4837/4885L3MBTL1 3552/4885HTT 1579/4885
US-20020147198-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR SMN1; SMN2 2424/4885L3MBTL1 1533/4885HTT 1392/4885

“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.