SCHEMBL1361857

SCHEMBL1361857

O=[N+]([O-])c1cc(Cl)cc(C(F)(F)F)c1

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
TDP1 Q9NUW8 2/20 0.56
TSHR P16473 2/20 0.56
CYP3A4 P08684 1/20 0.56
HPGD P15428 1/20 0.56
ALOX15 P16050 1/20 0.56
HIF1A Q16665 1/20 0.56
TXNRD1 Q16881 1/20 0.56
TXNRD3 Q86VQ6 1/20 0.56
TXNRD2 Q9NNW7 1/20 0.56
P2RX1 P51575 3/20 0.49
P2RX4 Q99571 1/20 0.49
P2RX7 Q99572 1/20 0.49
KIF11 P52732 2/20 0.41
EPAS1 Q99814 1/20 0.40
CYP19A1 P11511 1/20 0.40
PTPN5 P54829 1/20 0.40
TMPRSS4 Q9NRS4 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL29751640 1.00 ALDH1A1 (0.56) ALDH1A1TDP1TSHRCYP3A4HPGD
SCHEMBL1005841 0.86 TSHR (0.55) ALDH1A1TDP1TSHRCYP3A4HPGD
SCHEMBL1996062 0.86 ALDH1A1 (0.55) ALDH1A1TDP1TSHRCYP3A4HPGD
Hydrochloric Acid SCHEMBL28212666 0.84 TSHR (0.53) ALDH1A1TDP1TSHRCYP3A4HPGD
Trifluoromethylbenzene SCHEMBL27691143 0.82 ALDH1A1 (0.49) ALDH1A1TDP1TSHRCYP3A4HPGD
Hydrazine SCHEMBL28307217 0.82 TSHR (0.52) ALDH1A1TDP1TSHRCYP3A4HPGD
SCHEMBL11732882 0.81 HTT (0.47) ALDH1A1TDP1TSHRHPGDCYP19A1
SCHEMBL16396157 0.79 ALDH1A1 (0.44) ALDH1A1TDP1TSHRCYP3A4CYP19A1
SCHEMBL204235 0.79 ALDH1A1 (0.61) ALDH1A1TDP1TSHRCYP3A4CYP19A1
SCHEMBL1943699 0.79 CYP19A1 (0.62) ALDH1A1TDP1TSHRCYP3A4CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115991873-A Low-dielectric fluorinated aromatic polyimide film and preparation method thereof 慧创(东莞)材料技术有限责任公司 2023-04-21 CN claimed
CN-115991873-A Low-dielectric fluorinated aromatic polyimide film and preparation method thereof 慧创(东莞)材料技术有限责任公司 2023-04-21 CN disclosed
CN-111909122-A Diamine monomer containing 2, 5-furan dimethanol structure and preparation method thereof, polyimide film and preparation method thereof 吉林大学 2020-11-10 CN disclosed
CN-107108512-A Therapeutic compound and application thereof 基因泰克公司 2017-08-29 CN disclosed
US-8067582-B2 Fused heterocyclic compounds useful as modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2011-11-29 US disclosed
US-20100331324-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL-MYERS SQIOBB COMPANY 2010-12-30 US disclosed
EP-2170899-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION Bristol-Myers Squibb Company (US) 2010-04-07 EP disclosed
CN-101687881-A Fused heterocyclic compounds useful as modulators of nuclear hormone receptor function BRISTOL MYERS SQUIBB CO 2010-03-31 CN disclosed
EP-1107964-B1 ISOQUINOLINE DERIVATIVES WITH ANGIOGENESIS INHIBITING ACTIVITY NOVARTIS AG (CH) 2010-03-03 EP disclosed
WO-2009003077-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-31 WO disclosed
EP-1107964-A1 ISOQUINOLINE DERIVATIVES WITH ANGIOGENESIS INHIBITING ACTIVITY Novartis AG (CH) 2001-06-20 EP disclosed
WO-2000059509-A1 PHTHALAZINE DERIVATIVES FOR TREATING INFLAMMATORY DISEASES NOVARTIS AG (CH) 2000-10-12 WO disclosed
WO-2000037422-A2 ION CHANNEL MODULATING AGENTS NEUROSEARCH A/S (DK) 2000-06-29 WO disclosed
WO-2000009495-A1 ISOQUINOLINE DERIVATIVES WITH ANGIOGENESIS INHIBITING ACTIVITY NOVARTIS AG (CH) 2000-02-24 WO disclosed
US-5739133-A N-ACYLATED AND ALKYLATED DERIVATIVES OF PYRIDAZINO(4,5-B)-QUINOLINES; EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS; STROKES; ANTIISCHEMIC AND HYPOGLYCEMIC AGENTS; PSYCHOSIS; NEUROGODEGENERATIVE DISORDERS ZENECA LIMITED (GB) 1998-04-14 US disclosed
US-5733910-A Pyridazinedione compounds useful in the treating neurological disorders IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1998-03-31 US disclosed
US-5604227-A EXCITATORY AMINO ACID ANTAGONIST; MONO, DI OR TRI-ACETYLATION OR ALKYLATION IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1997-02-18 US disclosed
US-5599814-A SUBSTITUTED PYRIDAZINO(4,5-B)QUINOLINES AS ANTAGONISTS OF EXCITATORY AMINO ACIDS IMPERIAL CHEMICAL INDUSTRIES, PLC (GB) 1997-02-04 US disclosed
EP-0516297-B1 Pyridazinediones and their use in the treatment of neurological disorders ZENECA LTD (GB) 1996-10-30 EP disclosed
EP-0516297-A1 Pyridazinediones and their use in the treatment of neurological disorders ZENECA LIMITED (GB) 1992-12-02 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 (1 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-20100331324-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION NR5A1, AR, ESRRA ALDH1A1 967/4885TDP1 4443/4885TSHR 126/4885

“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.