SCHEMBL840447

SCHEMBL840447

O=[N+]([O-])c1ccc(Cl)c(I)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.67
VCAM1 P19320 1/20 0.55
KMT2A Q03164 4/20 0.50
LMNA P02545 3/20 0.50
MEN1 O00255 3/20 0.50
HTT P42858 1/20 0.50
ALDH1A1 P00352 5/20 0.48
TDP1 Q9NUW8 3/20 0.48
TSHR P16473 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
PDE7A Q13946 1/20 0.45
NPBWR1 P48145 1/20 0.44
RORC P51449 2/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44
PKM P14618 1/20 0.44

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
SCHEMBL31390071 0.83 HSD17B10 (0.67) HSD17B10VCAM1KMT2ALMNAMEN1
SCHEMBL2954715 0.83 HSD17B10 (0.67) HSD17B10VCAM1KMT2ALMNAMEN1
SCHEMBL29360183 0.80 HSD17B10 (1.00) HSD17B10VCAM1KMT2ALMNAMEN1
SCHEMBL3030993 0.80 LMNA (0.56) HSD17B10KMT2ALMNAMEN1HTT
SCHEMBL85918 0.80 HSD17B10 (1.00) HSD17B10VCAM1KMT2ALMNAMEN1
Dinitrochlorobenzene SCHEMBL29349476 0.77 HSD17B10 (0.69) HSD17B10VCAM1KMT2AALDH1A1TDP1
SCHEMBL790761 0.77 TDP1 (0.61) HSD17B10KMT2ALMNAMEN1HTT
Dinitrochlorobenzene SCHEMBL20472381 0.77 HSD17B10 (0.69) HSD17B10VCAM1KMT2AALDH1A1TDP1
SCHEMBL4870825 0.77 HSD17B10 (0.69) HSD17B10VCAM1KMT2ALMNAMEN1
Dinitrochlorobenzene SCHEMBL39251 0.77 HSD17B10 (0.69) HSD17B10VCAM1KMT2AALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008152217-A2 PROCESS FOR PREPARING 2-(N-BUTYL)-5-NITROBENZOFURAN FINORGA (FR) 2008-12-18 WO claimed
WO-2025054368-A1 COMPOUNDS, COMPOSITIONS, AND METHODS NICO THERAPEUTICS, INC. (US) 2025-03-13 WO disclosed
WO-2024125437-A1 GSPT1 DEGRADATION AGENT AND USE THEREOF 南京圣和药业股份有限公司 2024-06-20 WO disclosed
CN-118184639-A GSPT1 degradation agent and application thereof 南京圣和药业股份有限公司 2024-06-14 CN disclosed
US-20240116872-A1 PYRIDYL INHIBITORS FOR HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2024-04-11 US disclosed
US-20230265054-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2023-08-24 US disclosed
CN-111909188-B Compound, luminescent material and organic electroluminescent device 烟台显华化工科技有限公司 2023-07-25 CN disclosed
CN-111056994-B Preparation method of vismodegib 新发药业有限公司 2021-08-17 CN disclosed
US-20210070707-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2021-03-11 US disclosed
CN-111909188-A Compound, luminescent material and organic electroluminescent device 烟台显华化工科技有限公司 2020-11-10 CN disclosed
EP-1458723-A4 FUSED HETEROCYCLIC SUCCINIMIDECOMPOUNDS AND ANALOGS THEREOF, MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL MYERS SQUIBB CO (US) 2005-12-21 EP disclosed
US-20050272799-A1 Fused Heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function SALVATI MARK E 2005-12-08 US disclosed
US-20050192253-A1 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function SALVATI MARK E (US) 2005-09-01 US disclosed
CN-1589271-A Fused heterocyclic succinimide compounds and analogs thereof as modulators of nuclear hormone receptor function BRISTOL MYERS SQUIBB CO (US) 2005-03-02 CN disclosed
EP-1458723-A1 FUSED HETEROCYCLIC SUCCINIMIDECOMPOUNDS AND ANALOGS THEREOF, MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION Bristols-Myers Squibb Company (US) 2004-09-22 EP disclosed
US-20040077605-A1 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY 2004-04-22 US disclosed
US-6630504-B2 Activity as selective serotonin re- uptake inhibitors (SSRIs); for therapy and prophylaxis of depression, attention deficit hyperactivity disorder, obsessive-compulsive disorder, post-traumatic stress disorder, sexual dysfunction PFIZER INC. 2003-10-07 US disclosed
WO-2003062241-A1 FUSED HETEROCYCLIC SUCCINIMIDECOMPOUNDS AND ANALOGS THEREOF, MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-31 WO disclosed
US-20020183303-A1 Phenoxyphenylheterocyclyl derivatives as SSRIs PFIZER INC. 2002-12-05 US disclosed
EP-1184372-A1 Phenoxyphenylheterocycle derivatives as selective serotonin reuptake inhibitors (SSRIs) Pfizer Limited (GB) 2002-03-06 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 (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-20040077605-A1 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, NCOA3, NR5A2 HSD17B10 234/4885VCAM1 3646/4885KMT2A 1432/4885
US-20230265054-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO HSD17B10 4521/4885VCAM1 4799/4885KMT2A 1528/4885
US-20240116872-A1 PYRIDYL INHIBITORS FOR HEDGEHOG SIGNALLING SHH, GLI1, SMO HSD17B10 4504/4885VCAM1 4796/4885KMT2A 1487/4885
US-20050192253-A1 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, NCOA3, NR5A2 HSD17B10 234/4885VCAM1 3646/4885KMT2A 1432/4885
US-20210070707-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO HSD17B10 4521/4885VCAM1 4799/4885KMT2A 1528/4885
US-20050272799-A1 Fused Heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, NCOA3, NR5A2 HSD17B10 234/4885VCAM1 3646/4885KMT2A 1432/4885
US-20020183303-A1 Phenoxyphenylheterocyclyl derivatives as SSRIs CRHR1, NR3C1, HTR6 HSD17B10 451/4885VCAM1 4070/4885KMT2A 2824/4885

“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.