SCHEMBL21593633

SCHEMBL21593633

O=C(/C=C/c1ccccc1)Nc1cccnc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 1.00
NPC1 O15118 9/20 1.00
MEN1 O00255 4/20 0.76
KMT2A Q03164 4/20 0.76
EGFR P00533 1/20 0.71
MMP1 P03956 1/20 0.71
MMP2 P08253 1/20 0.71
MMP9 P14780 1/20 0.71
MAOA P21397 1/20 0.71
MAOB P27338 1/20 0.71
ALDH1A1 P00352 8/20 0.70
KDM4E B2RXH2 5/20 0.70
SMN1; SMN2 Q16637 6/20 0.70
MAPT P10636 2/20 0.70
POLB P06746 1/20 0.70
PKM P14618 2/20 0.64
NAMPT P43490 2/20 0.64
TP53 P04637 1/20 0.64
LMNA P02545 1/20 0.61
HTT P42858 1/20 0.61

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
SCHEMBL16180694 1.00 RAB9A (1.00) RAB9ANPC1MEN1KMT2AEGFR
SCHEMBL18407399 0.86 RAB9A (0.76) RAB9ANPC1MEN1KMT2AEGFR
SCHEMBL30098435 0.85 NPC1 (0.74) RAB9ANPC1MEN1KMT2AEGFR
SCHEMBL23924135 0.85 NPC1 (0.74) RAB9ANPC1MEN1KMT2AEGFR
SCHEMBL4987866 0.84 NPC1 (0.73) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL13675635 0.84 RAB9A (1.00) RAB9ANPC1MEN1KMT2AALDH1A1
N-Phenylcinnamamide SCHEMBL4205896 0.84 MMP1 (1.00) RAB9ANPC1MEN1KMT2AEGFR
N-Phenylcinnamamide SCHEMBL2682029 0.84 MMP1 (1.00) RAB9ANPC1MEN1KMT2AEGFR
N-Phenylcinnamamide SCHEMBL3667414 0.84 MMP1 (1.00) RAB9ANPC1MEN1KMT2AEGFR
SCHEMBL22645461 0.83 NPC1 (0.70) RAB9ANPC1MEN1KMT2AEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210207175-A1 COMPOUND FOR REGULATING GENE EDITING EFFICIENCY AND APPLICATION THEREOF SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2021-07-08 US disclosed
WO-2019238091-A1 COMPOUND FOR REGULATING GENE EDITING EFFICIENCY AND APPLICATION THEREOF 中国科学院上海有机化学研究所 2019-12-19 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-20210207175-A1 COMPOUND FOR REGULATING GENE EDITING EFFICIENCY AND APPLICATION THEREOF TET2, ZFX, ZFR RAB9A 3127/4885NPC1 156/4885MEN1 3647/4885

“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.