SCHEMBL621132

SCHEMBL621132

COc1cnc2ccc(OCCN3CCC(NC(=O)c4cc(-c5cccs5)on4)CC3)cc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.51
KMT2A Q03164 6/20 0.51
NPC1 O15118 6/20 0.51
MEN1 O00255 5/20 0.51
LMNA P02545 5/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
HPGD P15428 4/20 0.51
ALDH1A1 P00352 4/20 0.51
TP53 P04637 2/20 0.51
ACKR3 P25106 1/20 0.50
ESR1 P03372 1/20 0.47
TSHR P16473 2/20 0.47
KDM4E B2RXH2 1/20 0.44
HSD17B10 Q99714 1/20 0.44
POLB P06746 1/20 0.42
SMYD3 Q9H7B4 1/20 0.42
F10 P00742 1/20 0.42
MAPT P10636 2/20 0.42
HTR7 P34969 1/20 0.42
NR2F2 P24468 1/20 0.42

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
SCHEMBL622367 0.88 ACKR3 (0.51) RAB9AKMT2ANPC1MEN1LMNA
SCHEMBL621759 0.83 RAB9A (0.49) RAB9AKMT2ANPC1MEN1LMNA
SCHEMBL622193 0.76 MEN1 (0.49) RAB9AKMT2ANPC1MEN1LMNA
SCHEMBL4287780 0.76 RAB9A (0.77) RAB9AKMT2ANPC1MEN1LMNA
SCHEMBL509365 0.72 RAB9A (0.90) RAB9AKMT2ANPC1MEN1LMNA
SCHEMBL4280110 0.72 RAB9A (0.80) RAB9AKMT2ANPC1MEN1LMNA
SCHEMBL15662825 0.72 KDM4E (0.48) KMT2AHPGDALDH1A1KDM4E
SCHEMBL9911599 0.70 RAB9A (0.95) RAB9AKMT2ANPC1MEN1LMNA
SCHEMBL4284108 0.70 NPC1 (1.00) RAB9AKMT2ANPC1MEN1LMNA
SCHEMBL4280117 0.69 NPC1 (1.00) RAB9AKMT2ANPC1MEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120040957-A1 Novel Bicyclic Antibiotics BASILEA PHARMACEUTICA AG 2012-02-16 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-20120040957-A1 Novel Bicyclic Antibiotics C5, C1S, CBR3 RAB9A 3837/4885KMT2A 3611/4885NPC1 832/4885

“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.