SCHEMBL25319835

SCHEMBL25319835

Cc1ccc(-n2cc(Cl)nn2)c([N+](=O)[O-])c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CLK1 P49759 1/20 0.44
▸ CLK2 P49760 1/20 0.44
▸ CLK3 P49761 1/20 0.44
▸ CLK4 Q9HAZ1 1/20 0.44
▸ ALDH1A1 P00352 4/20 0.41
▸ POLB P06746 3/20 0.41
▸ PMM2 O15305 1/20 0.39
▸ MPI P34949 1/20 0.39
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ MAPT P10636 2/20 0.38
▸ BCHE P06276 1/20 0.38
▸ S1PR4 O95977 1/20 0.38
▸ TRPV1 Q8NER1 1/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ KEAP1 Q14145 1/20 0.38
▸ NFE2L2 Q16236 1/20 0.38
▸ L3MBTL1 Q9Y468 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
SCHEMBL25321511 0.86 MAPK1 (0.52) TSHRALDH1A1POLBMEN1KMT2A
SCHEMBL25319466 0.82 TSHR (0.45) TSHRCYP3A4CLK1CLK2CLK3
SCHEMBL18456211 0.77 BCHE (0.44) ALDH1A1MEN1KMT2ABCHE
SCHEMBL25322419 0.75 BCHE (0.42) CYP3A4ALDH1A1BCHE
SCHEMBL25323110 0.74 MAPK1 (0.49) TSHRCLK1CLK2CLK3CLK4
SCHEMBL25319929 0.72 MAPK1 (0.50) TSHRALDH1A1POLBMEN1KMT2A
SCHEMBL30949568 0.71 ALDH1A1 (0.65) TSHRCYP3A4ALDH1A1POLBMEN1
SCHEMBL16168691 0.71 POLB (0.65) TSHRCYP3A4ALDH1A1POLBMEN1
SCHEMBL25319625 0.69 MAPK1 (0.47) TSHRCYP3A4ALDH1A1POLBMEN1
SCHEMBL9044798 0.68 TSHR (0.56) TSHRCYP3A4ALDH1A1POLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116348109-B Piperazine derivative, and preparation method and application thereof 浙江海正药业股份有限公司 2025-01-21 — — CN disclosed
US-20230373972-A1 PIPERAZINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2023-11-23 — — US disclosed
US-20230373972-A1 PIPERAZINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2023-11-23 — — US disclosed
EP-4215525-A1 PIPERAZINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF Zhejiang Hisun Pharmaceutical Co., Ltd. (CN) 2023-07-26 — — EP disclosed
CN-116348109-A Piperazine derivative, and preparation method and application thereof 浙江海正药业股份有限公司 2023-06-27 — — CN 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-20230373972-A1 PIPERAZINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF F7, F11, HABP2 TSHR 3491/4885CYP3A4 153/4885CLK1 3919/4885

“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.

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