SCHEMBL5987974

SCHEMBL5987974

CC(=O)NCc1ccc(C(C)=O)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.75
HDAC1 Q13547 8/20 0.70
HDAC6 Q9UBN7 2/20 0.70
ALDH1A1 P00352 2/20 0.68
POLB P06746 1/20 0.68
MAPT P10636 1/20 0.68
RAB9A P51151 1/20 0.68
EPHX2 P34913 2/20 0.62
NR1H4 Q96RI1 2/20 0.62
HDAC2 Q92769 7/20 0.58
HDAC3 O15379 6/20 0.58
HDAC8 Q9BY41 6/20 0.54
HDAC11 Q96DB2 3/20 0.54
HDAC4 P56524 2/20 0.54
HDAC7 Q8WUI4 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC9 Q9UKV0 1/20 0.53
HDAC5 Q9UQL6 1/20 0.53
LMNA P02545 1/20 0.52
CA12 O43570 1/20 0.49

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
SCHEMBL12133623 0.89 KMT2A (0.76) KMT2AHDAC1HDAC6ALDH1A1POLB
SCHEMBL5374862 0.86 KMT2A (1.00) KMT2AHDAC1HDAC6ALDH1A1POLB
SCHEMBL26112506 0.86 KMT2A (0.61) KMT2AHDAC1HDAC6ALDH1A1POLB
SCHEMBL7162806 0.84 KMT2A (0.70) KMT2AHDAC1HDAC6ALDH1A1POLB
SCHEMBL11132201 0.84 KMT2A (0.70) KMT2AHDAC1HDAC6ALDH1A1POLB
SCHEMBL5929617 0.84 KMT2A (0.70) KMT2AHDAC1HDAC6ALDH1A1POLB
SCHEMBL12368437 0.82 HDAC1 (0.74) KMT2AHDAC1HDAC6ALDH1A1POLB
SCHEMBL12252575 0.82 KMT2A (0.68) KMT2AHDAC1HDAC6ALDH1A1POLB
SCHEMBL22060038 0.82 EPHX2 (0.57) KMT2AHDAC1HDAC6ALDH1A1POLB
SCHEMBL5357067 0.82 KMT2A (0.68) KMT2AHDAC1HDAC6ALDH1A1POLB

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-116478057-A Preparation method of fluororalrana intermediate 洛阳惠中兽药有限公司 2023-07-25 CN disclosed
US-20060167014-A1 Piperazine compounds and medicinal use thereof MITSUBISHI PHARMA CORPORATION 2006-07-27 US disclosed
EP-1029851-B1 PIPERAZINE COMPOUNDS AND MEDICINAL USE THEREOF MITSUBISHI PHARMA CORP (JP) 2005-04-20 EP disclosed
CN-1145609-C Piperazine compounds and medical use thereof ������ҩ��ʽ���� 2004-04-14 CN disclosed
US-20030055064-A1 Piperazine compounds and medicinal use thereof MITSUBISHI PHARMA CORPORATION 2003-03-20 US disclosed
US-20030018034-A1 Piperazine compounds and medicinal use thereof MITSUBISHI PHARMA CORPORATION 2003-01-23 US disclosed
US-6455528-B1 TUMOR NECROSIS FACTOR ANTAGONIST AND/OR INTERLEUKIN PROMOTER; ANTIALLERGENS, ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASE TREATMENT MITSUBISHI PHARMA CORPORATION (JP) 2002-09-24 US disclosed
CN-1281438-A Piperazine compounds and their use as pharmaceuticals EFUKU CO LTD (JP) 2001-01-24 CN disclosed
EP-1029851-A1 PIPERAZINE COMPOUNDS AND MEDICINAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2000-08-23 EP 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-20030055064-A1 Piperazine compounds and medicinal use thereof TNF, IL5, CCR10 KMT2A 2109/4885HDAC1 428/4885HDAC6 1002/4885
US-20030018034-A1 Piperazine compounds and medicinal use thereof TNF, IL5, CCR10 KMT2A 2049/4885HDAC1 438/4885HDAC6 965/4885
US-20060167014-A1 Piperazine compounds and medicinal use thereof TNF, CCR10, RELA KMT2A 1815/4885HDAC1 507/4885HDAC6 925/4885

“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.