SCHEMBL4588943

SCHEMBL4588943

Nc1ccc(CO)cc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.58
MAPT P10636 4/20 0.58
ALDH1A1 P00352 3/20 0.58
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
POLB P06746 2/20 0.58
CYP3A4 P08684 1/20 0.58
ALOX15 P16050 1/20 0.58
TSHR P16473 2/20 0.55
LMNA P02545 1/20 0.54
TTR P02766 1/20 0.47
ADRB2 P07550 1/20 0.47
PKM P14618 1/20 0.46
GPR35 Q9HC97 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
SCHEMBL4719966 0.86 TSHR (0.58) TDP1MAPTALDH1A1MEN1KMT2A
SCHEMBL572190 0.85 TDP1 (0.58) TDP1MAPTALDH1A1MEN1KMT2A
SCHEMBL12798874 0.85 TDP1 (0.62) TDP1MAPTALDH1A1MEN1KMT2A
SCHEMBL2929031 0.85 TDP1 (0.62) TDP1MAPTALDH1A1MEN1KMT2A
SCHEMBL30989211 0.85 TDP1 (0.62) TDP1MAPTALDH1A1MEN1KMT2A
SCHEMBL11079242 0.83 TDP1 (0.60) TDP1MAPTALDH1A1MEN1KMT2A
SCHEMBL31423774 0.83 TDP1 (0.60) TDP1MAPTALDH1A1MEN1KMT2A
SCHEMBL515466 0.82 MAPT (0.54) TDP1MAPTALDH1A1POLBCYP3A4
SCHEMBL7253733 0.81 TDP1 (0.58) TDP1MAPTALDH1A1MEN1KMT2A
SCHEMBL16655546 0.81 TDP1 (0.58) TDP1MAPTALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119121616-A Washable crease-resistant fabric and preparation method thereof 江苏翔鹏染整科技有限公司 2024-12-13 CN claimed
EP-0182330-B1 USE OF 2-NITROANILINE DERIVATIVES AS HAIR DYEING AGENTS, AND 2-NITROANILINE DERIVATIVES Wella Aktiengesellschaft (DE) 1991-05-15 EP claimed
EP-0182330-A2 Use of 2-nitroaniline derivatives as hair dyeing agents, and 2-nitroaniline derivatives Wella Aktiengesellschaft (DE) 1986-05-28 EP claimed
CN-119121616-A Washable crease-resistant fabric and preparation method thereof 江苏翔鹏染整科技有限公司 2024-12-13 CN disclosed
CN-119121616-A Washable crease-resistant fabric and preparation method thereof 江苏翔鹏染整科技有限公司 2024-12-13 CN disclosed
US-20170233375-A1 CANCER THERAPEUTICS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2017-08-17 US disclosed
US-9156822-B2 Functionally selective ligands of dopamine D2 receptors THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2015-10-13 US disclosed
EP-1606268-B1 5,10-DIHYDRO-11H-DIBENZO[B,E][1,4]DIAZEPIN-11-ONE AS KINASE INHIBITORS ABBVIE INC (US) 2015-05-20 EP disclosed
US-20130137679-A1 Novel Functionally Selective Ligands of Dopamine D2 Receptors NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-05-30 US disclosed
US-7456169-B2 Heterocyclic kinase inhibitors ABBOTT LABORATORIES INC. (US) 2008-11-25 US disclosed
US-20080166362-A1 New effector conjugates, process for their production and their pharmaceutical use BERGER MARKUS 2008-07-10 US disclosed
US-4230868-A α-Alkyl-α-hydroxybenzyl-substituted 1-sulfonylbenzimidazoles ELI LILLY AND COMPANY (US) 1980-10-28 US disclosed
US-4216313-A Antiviral thiazinyl benzimidazoles ELI LILLY AND COMPANY (US) 1980-08-05 US disclosed
US-4202698-A DYE BLEACH CATALYSTS CIBA-GEIGY AG (CH) 1980-05-13 US disclosed
US-4196125-A VIRICIDES ELI LILLY AND COMPANY (US) 1980-04-01 US disclosed
US-4174454-A VIRICIDES ELI LILLY AND COMPANY (US) 1979-11-13 US disclosed
US-4150028-A Antiviral thiazolinyl benzimidazoles ELI LILLY AND COMPANY (US) 1979-04-17 US disclosed
US-4118742-A VIRICIDES ELI LILLY AND COMPANY (US) 1978-10-03 US disclosed
US-4118573-A ANTIVIRAL AGENTS ELI LILLY AND COMPANY (US) 1978-10-03 US disclosed
US-4018790-A VIRICIDES ELI LILLY AND COMPANY (US) 1977-04-19 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 (3 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-20170233375-A1 CANCER THERAPEUTICS RUNX1, CBFB, MCL1 TDP1 3506/4885MAPT 3939/4885ALDH1A1 1660/4885
US-20080166362-A1 New effector conjugates, process for their production and their pharmaceutical use EPOR, TIE1, TEK TDP1 4191/4885MAPT 3760/4885ALDH1A1 1845/4885
US-20130137679-A1 Novel Functionally Selective Ligands of Dopamine D2 Receptors DRD2, AVPR2, NTSR2 TDP1 2206/4885MAPT 1375/4885ALDH1A1 2532/4885

“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.