SCHEMBL1080845

SCHEMBL1080845

O=C(O)C1Cc2cccc([N+](=O)[O-])c2C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GPR35 Q9HC97 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
TSHR P16473 1/20 0.41
CES2 O00748 3/20 0.40
CES1 P23141 2/20 0.40
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
ACHE P22303 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C1 Q04828 1/20 0.39
POLB P06746 1/20 0.38
ALDH1A1 P00352 1/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL14017372 1.00 TDP1 (0.44) TDP1MEN1KMT2AMAPTNPSR1
Hydrochloric Acid SCHEMBL7214642 0.98 TDP1 (0.43) TDP1MEN1KMT2AMAPTNPSR1
Hydrochloric Acid SCHEMBL7214648 0.98 TDP1 (0.43) TDP1MEN1KMT2AMAPTNPSR1
SCHEMBL7214637 0.86 CHRNB2 (0.41) TDP1MAPTGPR35L3MBTL1TSHR
SCHEMBL7517485 0.86 TDP1 (0.41) TDP1MEN1KMT2AGPR35L3MBTL1
SCHEMBL1082453 0.82 MAPT (0.48) TDP1MEN1KMT2AMAPTNPSR1
SCHEMBL5916971 0.79 GPR35 (0.46) TDP1MEN1KMT2AMAPTGPR35
SCHEMBL14651332 0.78 HRH4 (0.46) L3MBTL1ALDH1A1
SCHEMBL1080847 0.78 GPR35 (0.39) TDP1MEN1KMT2AMAPTGPR35
SCHEMBL11444096 0.76 TDP1 (0.42) TDP1MEN1KMT2AMAPTGPR35

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024224297-A1 METHOD FOR PREPARING 4-AMINOINDAN AND METHOD FOR PREPARING DIHYDROINDENYL-PYRAZOLO[3,4-B]PYRIDINE-AMINE 제이더블유중외제약 주식회사 2024-10-31 WO disclosed
WO-2019193541-A1 BICYCLIC AROMATIC RING DERIVATIVES OF FORMULA (I) AS ATF4 INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-10-10 WO disclosed
US-8987256-B2 Oxo-heterocyclic substituted carboxylic acid derivatives and the use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-03-24 US disclosed
US-8987256-B2 Oxo-heterocyclic substituted carboxylic acid derivatives and the use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-03-24 US disclosed
US-8987256-B2 Oxo-heterocyclic substituted carboxylic acid derivatives and the use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-03-24 US disclosed
CN-102083803-B Oxocyclic substituted carboxylic acid derivatives and their use BAYER IP GMBH 2015-02-18 CN disclosed
EP-2268625-B1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATES AND THE USE THEREOF Bayer Pharma AG (DE) 2012-05-16 EP disclosed
EP-2268625-B1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATES AND THE USE THEREOF Bayer Pharma AG (DE) 2012-05-16 EP disclosed
US-7989451-B2 Tricyclic 1,2,4-triazine oxides and compositions for therapeutic use in cancer treatments AUCKLAND UNISERVICES LIMITED (NZ) 2011-08-02 US disclosed
US-7989451-B2 Tricyclic 1,2,4-triazine oxides and compositions for therapeutic use in cancer treatments AUCKLAND UNISERVICES LIMITED (NZ) 2011-08-02 US disclosed
WO-2006104406-A1 TRICYCLIC 1,2,4-TRIAZINE OXIDES AND COMPOSITIONS THEREFROM FOR THERAPEUTIC USE IN CANCER TREATMENTS AUCKLAND UNISERVICES LIMITED (NZ) 2006-10-05 WO disclosed
US-20050096326-A1 Substituted indian derivatives BERG STEFAN (SE) 2005-05-05 US disclosed
EP-1025094-B1 SUBSTITUTED INDAN DERIVATIVES ASTRAZENECA AB (SE) 2004-08-25 EP disclosed
US-20030144291-A1 Substituted indan derivatives BERG STEFAN (SE) 2003-07-31 US disclosed
US-6548498-B1 4-(piperazino)-indan derivatives; 5-hydroxytryptamine receptor (h5-HT1B-receptor) antagonists; use treating psychological disorders, obesity, nervous system disorders and as antitumor agent ASTRAZENECA AB (SE) 2003-04-15 US disclosed
EP-0945438-B1 PYRAZOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2003-03-05 EP disclosed
EP-1025094-A1 SUBSTITUTED INDAN DERIVATIVES Astrazeneca AB (SE) 2000-08-09 EP disclosed
US-6057335-A Pyrazole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2000-05-02 US disclosed
EP-0945438-A1 PYRAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-09-29 EP disclosed
WO-1999014207-A1 SUBSTITUTED INDAN DERIVATIVES ASTRAZENECA AB (SE) 1999-03-25 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 (2 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-20050096326-A1 Substituted indian derivatives HTR5A, TPH1, TPH2 TDP1 2812/4885MEN1 2271/4885KMT2A 3178/4885
US-20030144291-A1 Substituted indan derivatives NR2C2, INSR, REL TDP1 3780/4885MEN1 4598/4885KMT2A 3712/4885

“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.