SCHEMBL7450980

SCHEMBL7450980

CC(=O)NC(=O)CCc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.69
HDAC2 Q92769 1/20 0.63
HDAC8 Q9BY41 1/20 0.63
HDAC6 Q9UBN7 1/20 0.63
KDM4E B2RXH2 2/20 0.60
RECQL P46063 1/20 0.60
HDAC1 Q13547 3/20 0.59
MAPT P10636 2/20 0.59
HTT P42858 1/20 0.59
KEAP1 Q14145 1/20 0.55
ALOX12 P18054 2/20 0.55
HPGD P15428 2/20 0.55
CYP2C9 P11712 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C19 P33261 1/20 0.55
CRHBP P24387 1/20 0.55
CRHR2 Q13324 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55

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
SCHEMBL8010300 0.89 HDAC1 (0.66) ALDH1A1HDAC2HDAC8HDAC6HDAC1
SCHEMBL20597404 0.88 HDAC2 (0.73) ALDH1A1HDAC2HDAC8HDAC6KDM4E
SCHEMBL28234466 0.87 HDAC1 (0.65) ALDH1A1HDAC2HDAC8HDAC6HDAC1
SCHEMBL27729715 0.85 ALDH1A1 (0.63) ALDH1A1HDAC2HDAC8HDAC6KDM4E
SCHEMBL14507607 0.85 HDAC2 (0.59) ALDH1A1HDAC2HDAC8HDAC6KDM4E
SCHEMBL30572280 0.83 HDAC2 (0.61) ALDH1A1HDAC2HDAC8HDAC6KDM4E
SCHEMBL3512351 0.81 HDAC2 (0.63) ALDH1A1HDAC2HDAC8HDAC6KDM4E
SCHEMBL5430589 0.81 HDAC2 (0.63) ALDH1A1HDAC2HDAC8HDAC6KDM4E
SCHEMBL8013439 0.80 MEN1 (0.61) ALDH1A1HDAC8HDAC6KDM4EHPGD
SCHEMBL353132 0.80 HDAC2 (0.68) ALDH1A1HDAC2HDAC8HDAC6KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170058002-A1 GAMMA-AAPEPTIDES WITH POTENT AND BROAD-SPECTRUM ANTIMICROBIAL ACTIVITY UNIVERSITY OF SOUTH FLORIDA (US) 2017-03-02 US disclosed
CN-105272888-A Bis-arylalkenylalkyl acid compound, and preparation method and application thereof SHANGHAI INST MATERIA MEDICA 2016-01-27 CN disclosed
CN-1145609-C Piperazine compounds and medical use thereof ������ҩ��ʽ���� 2004-04-14 CN disclosed
EP-1129108-A4 CASPASES AND APOPTOSIS SMITHKLINE BEECHAM CORP (US) 2002-01-09 EP disclosed
EP-1129108-A1 CASPASES AND APOPTOSIS SmithKline Beecham Corporation (US) 2001-09-05 EP disclosed
CN-1281438-A Piperazine compounds and their use as pharmaceuticals EFUKU CO LTD (JP) 2001-01-24 CN disclosed
WO-2000020440-A1 CASPASES AND APOPTOSIS SMITHKLINE BEECHAM CORPORATION (US) 2000-04-13 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-20170058002-A1 GAMMA-AAPEPTIDES WITH POTENT AND BROAD-SPECTRUM ANTIMICROBIAL ACTIVITY ANPEP, DNPEP, ENPEP ALDH1A1 2713/4885HDAC2 4234/4885HDAC8 3953/4885

“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.