SCHEMBL6696480

SCHEMBL6696480

[CH2]/C=C/C=C/c1cccnc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 2/20 0.59
CYP11B1 P15538 1/20 0.59
VCP P55072 1/20 0.53
RAB9A P51151 3/20 0.52
NPC1 O15118 2/20 0.52
MAPT P10636 2/20 0.52
KDM4E B2RXH2 1/20 0.52
JUN P05412 1/20 0.52
NFKB1 P19838 1/20 0.52
MAPK1 P28482 1/20 0.52
GPR55 Q9Y2T6 1/20 0.52
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.47
ALOX5 P09917 2/20 0.46
PTGS1 P23219 2/20 0.46
PTGS2 P35354 2/20 0.46
CHRNB2 P17787 1/20 0.45
CHRNB4 P30926 1/20 0.45

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
SCHEMBL691995 0.85
SCHEMBL691994 0.85
SCHEMBL8542749 0.82 CYP11B2 (0.61) CYP11B2CYP11B1VCPRAB9ANPC1
SCHEMBL30444997 0.82 CYP11B2 (0.61) CYP11B2CYP11B1VCPRAB9ANPC1
SCHEMBL8542746 0.82 CYP11B2 (0.61) CYP11B2CYP11B1VCPRAB9ANPC1
SCHEMBL29691623 0.80 CYP11B1 (0.86) CYP11B2CYP11B1VCPRAB9ANPC1
SCHEMBL29691639 0.80 CYP11B1 (0.86) CYP11B2CYP11B1VCPRAB9ANPC1
SCHEMBL22511784 0.80 CYP11B1 (0.59) CYP11B2CYP11B1VCPRAB9ANPC1
SCHEMBL6249186 0.78 CYP11B1 (0.57) CYP11B2CYP11B1VCPRAB9ANPC1
SCHEMBL27626846 0.78 CYP11B1 (0.57) CYP11B2CYP11B1VCPRAB9ANPC1

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-6825172-B2 BACTERICIDES; AGAINST GRAMNEGATIVE, GRAMPOSITIVE BACTERIA JANSSEN PHARMACEUTICA, NV (BE) 2004-11-30 US disclosed
US-20040018994-A1 3-Descladinosyl-6-O-carbamoyl and 6-O-carbonoyl macrolide antibacterial agents JANSSEN PHARMACEUTICA N.V. (BE) 2004-01-29 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-20040018994-A1 3-Descladinosyl-6-O-carbamoyl and 6-O-carbonoyl macrolide antibacterial agents CHCHD6, MRPL21, MRPS18B CYP11B2 2734/4885CYP11B1 2206/4885VCP 1670/4885

“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.