SCHEMBL4901701

SCHEMBL4901701

NCCCOc1cccc(-c2ccsc2)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRMT6 Q96LA8 1/20 0.43
SYK P43405 1/20 0.43
CYP2A6 P11509 2/20 0.42
CYP2E1 P05181 1/20 0.42
CYP2B6 P20813 1/20 0.42
KDR P35968 1/20 0.41
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KCNH2 Q12809 1/20 0.40
LTB4R Q15722 2/20 0.40
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
PPARD Q03181 1/20 0.39
LTA4H P09960 1/20 0.38
PIM1 P11309 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL9259584 0.94 LTB4R (0.43) PRMT6SYKCYP2A6CYP2E1CYP2B6
SCHEMBL14642800 0.92 TAAR1 (0.46) PRMT6SYKCYP2A6CYP2E1CYP2B6
SCHEMBL5194919 0.89 CYP2A6 (0.57) SYKCYP2A6CYP2B6KDRPDGFRB
SCHEMBL9251002 0.87 SLC9A3 (0.41) PRMT6SYKCYP2A6CYP2E1CYP2B6
SCHEMBL9257607 0.84 ALDH1A1 (0.47) PRMT6CYP2A6CYP2E1CYP2B6KDR
SCHEMBL9166872 0.82 LTB4R (0.43) PRMT6CYP2A6CYP2E1CYP2B6KDR
SCHEMBL9249970 0.82 LTB4R (0.43) PRMT6CYP2A6CYP2E1CYP2B6KDR
SCHEMBL9254689 0.81 PRMT6 (0.40) PRMT6CYP2A6CYP2E1CYP2B6KDR
SCHEMBL10682119 0.80 LTA4H (0.55) LTA4H
SCHEMBL9259837 0.80 PRMT6 (0.40) PRMT6CYP2A6CYP2E1CYP2B6KDR

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-20080318878-A1 Antibacterial Agents RANBAXY LABORATRIES LIMITED (IN) 2008-12-25 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-20080318878-A1 Antibacterial Agents MLX, MGAM, CAT PRMT6 4657/4885SYK 4385/4885CYP2A6 1079/4885

“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.