SCHEMBL16809247

SCHEMBL16809247

CCC(N)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
LMNA P02545 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.50
MEN1 O00255 1/20 0.50
HPGD P15428 1/20 0.50
KMT2A Q03164 1/20 0.50
ALDH1A1 P00352 2/20 0.49
ACHE P22303 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
MAPT P10636 2/20 0.48
ACP3 P15309 1/20 0.48
GRM8 O00222 4/20 0.47
GRM4 Q14833 4/20 0.47
GRM6 O15303 3/20 0.46
HTT P42858 1/20 0.45
ALOX12 P18054 1/20 0.44
KMO O15229 1/20 0.44
TDP1 Q9NUW8 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
SCHEMBL4703596 0.85 TSHR (0.53) TSHRLMNAL3MBTL1MEN1HPGD
SCHEMBL16805953 0.84 KMT2A (0.51) TSHRLMNAL3MBTL1MEN1HPGD
SCHEMBL666103 0.83 GRM8 (0.53) TSHRLMNAL3MBTL1MEN1HPGD
SCHEMBL31226322 0.83 GRM8 (0.53) TSHRLMNAL3MBTL1MEN1HPGD
SCHEMBL666980 0.83 CYP2D6 (0.48) TSHRLMNAL3MBTL1MEN1HPGD
SCHEMBL31226485 0.83 CYP2D6 (0.48) TSHRLMNAL3MBTL1MEN1HPGD
SCHEMBL9298304 0.83 KMT2A (0.53) TSHRLMNAL3MBTL1MEN1HPGD
SCHEMBL666474 0.81 GRM8 (0.49) TSHRLMNAL3MBTL1MEN1HPGD
SCHEMBL10609292 0.81 TSHR (0.53) TSHRLMNAL3MBTL1MEN1HPGD
SCHEMBL18896279 0.81 KMT2A (0.58) TSHRLMNAL3MBTL1MEN1HPGD

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116023283-A Preparation method of m-nitro aromatic ring compound 上海创拓生物科技有限公司 2023-04-28 CN claimed
CN-116023283-B Preparation method of m-nitro aromatic ring compound 上海创拓生物科技有限公司 2025-05-23 CN disclosed
US-20230192644-A1 PIPERIDINE-2,6-DIONES AS SMALL MOLECULE DEGRADERS OF HELIOS AND METHODS OF USE DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-06-22 US disclosed
US-20230192644-A1 PIPERIDINE-2,6-DIONES AS SMALL MOLECULE DEGRADERS OF HELIOS AND METHODS OF USE DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-06-22 US disclosed
CN-116023283-A Preparation method of m-nitro aromatic ring compound 上海创拓生物科技有限公司 2023-04-28 CN disclosed
CN-116023283-A Preparation method of m-nitro aromatic ring compound 上海创拓生物科技有限公司 2023-04-28 CN disclosed
EP-4153175-A1 PIPERIDINE-2,6-DIONES AS SMALL MOLECULE DEGRADERS OF HELIOS AND METHODS OF USE Dana-Farber Cancer Institute, Inc. (US) 2023-03-29 EP disclosed
US-9481684-B2 Gonadotropin releasing hormone receptor antagonists, method for the preparation thereof and pharmaceutical composition comprising the same SK CHEMICALS CO., LTD. (KR) 2016-11-01 US disclosed
US-20150166558-A1 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME SK CHEMICALS CO., LTD. (KR) 2015-06-18 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 (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-20150166558-A1 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME GNRHR, FSHR, GHRHR TSHR 50/4885LMNA 417/4885L3MBTL1 4743/4885
US-20230192644-A1 PIPERIDINE-2,6-DIONES AS SMALL MOLECULE DEGRADERS OF HELIOS AND METHODS OF USE IKZF2, IKZF1, NUTF2 TSHR 4330/4885LMNA 1156/4885L3MBTL1 3511/4885

“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.