SCHEMBL17667007

SCHEMBL17667007

O=C(O)/C=C\C(=O)Nc1ccc(Br)cn1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 10/20 0.69
▸ ALDH1A1 P00352 4/20 0.69
▸ SMN1; SMN2 Q16637 3/20 0.69
▸ NPC1 O15118 8/20 0.59
▸ LMNA P02545 2/20 0.59
▸ NFKB1 P19838 1/20 0.59
▸ NFKB2 Q00653 1/20 0.59
▸ RELA Q04206 1/20 0.59
▸ TSHR P16473 1/20 0.55
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ RXFP1 Q9HBX9 1/20 0.51
▸ DEGS1 O15121 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ CASP3 P42574 1/20 0.48
▸ SENP7 Q9BQF6 1/20 0.48
▸ STAT1 P42224 1/20 0.47

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
SCHEMBL17667010 1.00 RAB9A (0.69) RAB9AALDH1A1SMN1; SMN2NPC1LMNA
SCHEMBL8234749 0.81 RAB9A (0.62) RAB9AALDH1A1SMN1; SMN2NPC1LMNA
SCHEMBL20212003 0.81 RAB9A (0.62) RAB9AALDH1A1SMN1; SMN2NPC1LMNA
SCHEMBL17667004 0.81 RAB9A (0.69) RAB9ASMN1; SMN2NPC1LMNANFKB1
SCHEMBL17667001 0.81 RAB9A (0.69) RAB9ASMN1; SMN2NPC1LMNANFKB1
SCHEMBL18285086 0.80 NPC1 (0.61) RAB9AALDH1A1SMN1; SMN2NPC1LMNA
SCHEMBL1067851 0.79 TSHR (0.65) RAB9AALDH1A1SMN1; SMN2NPC1LMNA
SCHEMBL17667008 0.79 RAB9A (0.55) RAB9AALDH1A1SMN1; SMN2NPC1LMNA
SCHEMBL17667005 0.79 RAB9A (0.55) RAB9AALDH1A1SMN1; SMN2NPC1LMNA
SCHEMBL17667053 0.78 RAB9A (0.54) RAB9AALDH1A1SMN1; SMN2NPC1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160152607-A1 MALEIC ACID DERIVATIVE, PRODUCTION METHOD FOR SAME, AND ANTI-CANCER COMPOSITION COMPRISING SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2016-06-02 — — US claimed
EP-3006428-A1 NOVEL MALEIC ACID DERIVATIVE, PRODUCTION METHOD FOR SAME AND ANTI-CANCER COMPOSITION COMPRISING SAME Medicinal Bioconvergence Research Center (KR) 2016-04-13 — — EP claimed
US-20160152607-A1 MALEIC ACID DERIVATIVE, PRODUCTION METHOD FOR SAME, AND ANTI-CANCER COMPOSITION COMPRISING SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2016-06-02 — — US disclosed
US-20160152607-A1 MALEIC ACID DERIVATIVE, PRODUCTION METHOD FOR SAME, AND ANTI-CANCER COMPOSITION COMPRISING SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2016-06-02 — — US disclosed
US-20160152607-A1 MALEIC ACID DERIVATIVE, PRODUCTION METHOD FOR SAME, AND ANTI-CANCER COMPOSITION COMPRISING SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2016-06-02 — — US disclosed
EP-3006428-A1 NOVEL MALEIC ACID DERIVATIVE, PRODUCTION METHOD FOR SAME AND ANTI-CANCER COMPOSITION COMPRISING SAME Medicinal Bioconvergence Research Center (KR) 2016-04-13 — — 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 (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-20160152607-A1 MALEIC ACID DERIVATIVE, PRODUCTION METHOD FOR SAME, AND ANTI-CANCER COMPOSITION COMPRISING SAME NR1H4, CBR1, NR1H2 RAB9A 4015/4885ALDH1A1 460/4885SMN1; SMN2 3186/4885

“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.

Send feedback