SCHEMBL6030882

SCHEMBL6030882

O=C(CCl)Nc1ccc2ccccc2n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.64
RAB9A P51151 9/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
NFKB1 P19838 2/20 0.64
NFKB2 Q00653 2/20 0.64
RELA Q04206 2/20 0.64
KMT2A Q03164 2/20 0.58
NOTUM Q6P988 1/20 0.57
WNT3A P56704 1/20 0.57
ADORA3 P0DMS8 1/20 0.52
ADORA2A P29274 1/20 0.52
ADORA2B P29275 1/20 0.52
ADORA1 P30542 1/20 0.52
MAPK1 P28482 1/20 0.51
NCF1 P14598 1/20 0.50
MAPT P10636 1/20 0.49
TP53 P04637 1/20 0.49
POLB P06746 1/20 0.49
HPGD P15428 1/20 0.49
PDE10A Q9Y233 1/20 0.48

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
SCHEMBL2638111 0.85 NPC1 (0.66) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL11716643 0.85 NPC1 (0.66) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL11716649 0.85 NPC1 (0.66) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL5291319 0.84 NPC1 (0.57) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL2638108 0.83 NPC1 (0.64) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL10605304 0.83 NPC1 (0.64) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL4413382 0.83 NPC1 (0.64) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL14580724 0.82 NPC1 (0.71) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL9870685 0.82 NPC1 (0.62) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL4856355 0.81 NPC1 (0.69) NPC1RAB9ASMN1; SMN2NFKB1NFKB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110627718-A Synthesis method of (E) -beta-monofluoroalkyl-beta, gamma-unsaturated amide 安阳师范学院 2019-12-31 CN claimed
CN-110627718-B Synthesis method of (E) -beta-monofluoroalkyl-beta, gamma-unsaturated amide 安阳师范学院 2022-10-04 CN disclosed
CN-110627718-B Synthesis method of (E) -beta-monofluoroalkyl-beta, gamma-unsaturated amide 安阳师范学院 2022-10-04 CN disclosed
CN-110627718-A Synthesis method of (E) -beta-monofluoroalkyl-beta, gamma-unsaturated amide 安阳师范学院 2019-12-31 CN disclosed
CN-110627718-A Synthesis method of (E) -beta-monofluoroalkyl-beta, gamma-unsaturated amide 安阳师范学院 2019-12-31 CN disclosed
CN-108358978-A A kind of enhancement magnetic targeted cell fluorescence nano-probe and preparation method thereof 四川农业大学 2018-08-03 CN disclosed
EP-1478653-B1 MACROLIDES WITH ANTIBACTERIAL ACTIVITY BASILEA PHARMACEUTICA AG (CH) 2014-07-02 EP disclosed
US-6995143-B2 Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2006-02-07 US disclosed
EP-1478653-A1 MACROLIDES WITH ANTIBACTERIAL ACTIVITY Basilea Pharmaceutica AG (CH) 2004-11-24 EP disclosed
US-20030212011-A1 Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2003-11-13 US disclosed
WO-2003072588-A1 MACROLIDES WITH ANTIBACTERIAL ACTIVITY BASILEA PHARMACEUTICA AG (CH) 2003-09-04 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-20030212011-A1 Macrolides with antibacterial activity MRPL21, RPS21, MRPS18A NPC1 133/4885RAB9A 766/4885SMN1; SMN2 2162/4885

“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.