SCHEMBL3319628

SCHEMBL3319628

O=C(CCCCCBr)Nc1cccc2ncccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.64
LMNA P02545 3/20 0.64
HTT P42858 2/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
HDAC6 Q9UBN7 3/20 0.54
RECQL P46063 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.53
PABPC1 P11940 2/20 0.53
EIF4H Q15056 2/20 0.53
KDM4E B2RXH2 2/20 0.53
MAPT P10636 1/20 0.53
CLK1 P49759 1/20 0.53
P2RX7 Q99572 1/20 0.53
HDAC3 O15379 3/20 0.52
HDAC4 P56524 2/20 0.51
HDAC1 Q13547 2/20 0.51
HDAC7 Q8WUI4 2/20 0.51
HDAC2 Q92769 2/20 0.51

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
SCHEMBL4861658 0.89 ALDH1A1 (0.70) ALDH1A1LMNAHTTSMN1; SMN2MEN1
SCHEMBL30445482 0.88 MEN1 (0.66) ALDH1A1LMNAHTTSMN1; SMN2MEN1
SCHEMBL27779139 0.86 ALDH1A1 (0.65) ALDH1A1LMNAHTTSMN1; SMN2MEN1
SCHEMBL13973514 0.86 ALDH1A1 (0.65) ALDH1A1LMNAHTTSMN1; SMN2MEN1
SCHEMBL30858814 0.84 ALDH1A1 (0.67) ALDH1A1LMNAHTTSMN1; SMN2MEN1
SCHEMBL21296583 0.84 ALDH1A1 (0.74) ALDH1A1LMNAHTTSMN1; SMN2MEN1
SCHEMBL2639029 0.81 ALDH1A1 (0.70) ALDH1A1LMNAHTTSMN1; SMN2MEN1
SCHEMBL9186736 0.81 ALDH1A1 (0.79) ALDH1A1LMNAHTTSMN1; SMN2MEN1
SCHEMBL2639033 0.81 ALDH1A1 (0.70) ALDH1A1LMNAHTTSMN1; SMN2MEN1
SCHEMBL5460448 0.81 HDAC6 (0.71) ALDH1A1LMNAHTTSMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100105727-A1 NOVEL BENZAMIDE DERIVATIVES AND PROCESS FOR THE PREPARTION THEREOF DONG-A-PHARM. CO., LTD. (KR) 2010-04-29 US disclosed
CN-101641330-A Benzamide derivatives and process for preparing the same DONG A PHARM CO LTD KR 2010-02-03 CN disclosed
EP-2137152-A1 NOVEL BENZAMIDE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF Dong-A Pharm.Co., Ltd. (KR) 2009-12-30 EP disclosed
WO-2008114971-A1 NOVEL BENZAMIDE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF DONG-A PHARM. CO., LTD. (KR) 2008-09-25 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-20100105727-A1 NOVEL BENZAMIDE DERIVATIVES AND PROCESS FOR THE PREPARTION THEREOF HTR4, HTR1A, TPH1 ALDH1A1 1208/4885LMNA 943/4885HTT 813/4885

“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.