SCHEMBL4846566

SCHEMBL4846566

COc1ccc2c(c1)/C(=C/C(=O)c1ccc(NC(=O)CCc3ccccc3)cc1)NC(C)(C)C2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.48
HDAC1 Q13547 2/20 0.44
HSD17B1 P14061 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALOX5 P09917 1/20 0.42
POLB P06746 1/20 0.41
NAMPT P43490 1/20 0.41
ALDH1A1 P00352 4/20 0.41
HPGD P15428 1/20 0.41
MAPT P10636 4/20 0.40
CYP3A4 P08684 3/20 0.40
SENP1 Q9P0U3 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
TSHR P16473 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL4846573 1.00 RAB9A (0.48) RAB9AHDAC1HSD17B1MEN1KMT2A
SCHEMBL4835761 0.92 RAB9A (0.53) RAB9AHSD17B1MEN1KMT2AALDH1A1
SCHEMBL4835750 0.92 RAB9A (0.53) RAB9AHSD17B1MEN1KMT2AALDH1A1
SCHEMBL4842405 0.92 RAB9A (0.51) RAB9AMEN1KMT2AALDH1A1HPGD
SCHEMBL4842417 0.92 RAB9A (0.51) RAB9AMEN1KMT2AALDH1A1HPGD
SCHEMBL4842563 0.89 MTNR1B (0.47) RAB9AMEN1KMT2AALDH1A1HPGD
SCHEMBL4842547 0.89 MTNR1B (0.47) RAB9AMEN1KMT2AALDH1A1HPGD
SCHEMBL4835773 0.89 NAMPT (0.42) RAB9AMEN1KMT2ANAMPTALDH1A1
SCHEMBL4835779 0.89 NAMPT (0.42) RAB9AMEN1KMT2ANAMPTALDH1A1
SCHEMBL4835408 0.88 LMNA (0.40) HDAC1MEN1KMT2APOLBALDH1A1

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-7378428-B2 Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-05-27 US disclosed
US-20050222138-A1 Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-10-06 US 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-20050222138-A1 Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient PARK7, MMP8, CDK7 RAB9A 2220/4885HDAC1 439/4885HSD17B1 465/4885

“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.