SCHEMBL3162028

SCHEMBL3162028

CCOC(=O)C(Cc1ccccc1I)NC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP8 P22894 2/20 0.40
▸ MAPT P10636 3/20 0.39
▸ TP53 P04637 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ PIN1 Q13526 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ OPRK1 P41145 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ MMP2 P08253 1/20 0.38
▸ MMP3 P08254 1/20 0.38
▸ EPHX2 P34913 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ CYP4F2 P78329 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
SCHEMBL16001091 0.86 TACR1 (0.50) MAPTTP53LMNATHRBOPRK1
SCHEMBL14464228 0.85 EPHX2 (0.47) MMP8LMNAPIN1SMN1; SMN2MEN1
SCHEMBL4330313 0.81 MMP8 (0.48) MMP8TP53PIN1SMN1; SMN2MEN1
SCHEMBL5972398 0.80 MMP8 (0.47) MMP8TP53PIN1SMN1; SMN2MEN1
SCHEMBL2153393 0.79 SCN9A (0.47) MMP8PIN1MEN1NPC1KMT2A
SCHEMBL2153399 0.79 SCN9A (0.47) MMP8PIN1MEN1NPC1KMT2A
SCHEMBL3160853 0.79 ITGA4 (0.42) MAPTOPRK1CYP1A2CYP2C9CYP2C19
SCHEMBL585508 0.79 SCN9A (0.42) MMP8MAPTTP53LMNATHRB
SCHEMBL4765072 0.78 MMP8 (0.59) MMP8TP53THRBCYP2C9CYP2C19
SCHEMBL6322057 0.78 MMP8 (0.59) MMP8TP53THRBCYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101374820-B Piperazine compounds with a herbicidal action BASF SE 2013-09-04 — — CN disclosed
US-8450301-B2 Piperazine compounds with a herbicidal action BASF SE (DE) 2013-05-28 — — US disclosed
US-8450301-B2 Piperazine compounds with a herbicidal action BASF SE (DE) 2013-05-28 — — US disclosed
US-8450301-B2 Piperazine compounds with a herbicidal action BASF SE (DE) 2013-05-28 — — US disclosed
EP-1971580-B1 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION BASF SE (DE) 2010-02-24 — — EP disclosed
EP-1971580-B1 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION BASF SE (DE) 2010-02-24 — — EP disclosed
US-20090156553-A1 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION BASF SE (DE) 2009-06-18 — — US disclosed
US-20090156553-A1 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION BASF SE (DE) 2009-06-18 — — US disclosed
US-20090156553-A1 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION BASF SE (DE) 2009-06-18 — — US disclosed
CN-101374820-A Piperazine compounds with a herbicidal action BASF SE (DE) 2009-02-25 — — CN disclosed
EP-1971580-A1 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION BASF SE (DE) 2008-09-24 — — EP disclosed
WO-2007077201-A9 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION BASF SE (DE) 2008-07-31 — — WO disclosed
WO-2007077201-A9 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION BASF SE (DE) 2008-07-31 — — WO disclosed
WO-2007077201-A1 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION BASF SE (DE) 2007-07-12 — — 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 (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-20090156553-A1 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION DDT, CAT, CIP2A MMP8 2825/4885MAPT 3351/4885TP53 2691/4885

“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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