SCHEMBL6794110

SCHEMBL6794110

C[C@@H](NC(=O)c1ccccn1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.57
ALDH1A1 P00352 5/20 0.55
KDR P35968 2/20 0.54
PHGDH O43175 1/20 0.54
KMT2A Q03164 5/20 0.52
MEN1 O00255 4/20 0.52
LMNA P02545 3/20 0.52
MAPT P10636 2/20 0.52
SNCA P37840 1/20 0.52
KDM4E B2RXH2 3/20 0.51
HTT P42858 3/20 0.51
MITF O75030 1/20 0.50
GAA P10253 1/20 0.50
AGTR1 P30556 1/20 0.50
OPRK1 P41145 1/20 0.50
RAB9A P51151 1/20 0.50
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL27583336 1.00 ACACB (0.57) ACACBALDH1A1KDRPHGDHKMT2A
SCHEMBL6789222 1.00 ACACB (0.57) ACACBALDH1A1KDRPHGDHKMT2A
SCHEMBL28596532 0.82 MEN1 (0.61) ALDH1A1KDRPHGDHKMT2AMEN1
SCHEMBL6795144 0.81 ACACB (0.61) ACACBALDH1A1KDRPHGDHLMNA
SCHEMBL6792182 0.81 ACACB (0.61) ACACBALDH1A1KDRPHGDHLMNA
SCHEMBL27583365 0.81 ACACB (0.61) ACACBALDH1A1KDRPHGDHLMNA
SCHEMBL31739150 0.79 ACACB (0.69) ACACBALDH1A1PHGDHKMT2AMEN1
SCHEMBL16592576 0.78 KDR (0.81) KDRKMT2AMEN1MAPTSNCA
SCHEMBL31739129 0.78 PDE2A (0.61) ACACB
SCHEMBL4929872 0.77 AMY1A (0.60) ALDH1A1PHGDHKMT2AMEN1LMNA

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-20040058903-A1 Benzamide compounds as apo b secretion inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-03-25 US disclosed
CN-1478077-A Benzamide compounds as APO B secretion inhibitors ����ҩƷ��ҵ��ʽ���� 2004-02-25 CN disclosed
EP-1326835-A1 BENZAMIDE COMPOUNDS AS APO B SECRETION INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-07-16 EP disclosed
WO-2002028835-A1 BENZAMIDE COMPOUNDS AS APO B SECRETION INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-04-11 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-20040058903-A1 Benzamide compounds as apo b secretion inhibitors APOB, APOL1, SCARB1 ACACB 104/4885ALDH1A1 1427/4885KDR 3180/4885

“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.