SCHEMBL8548422

SCHEMBL8548422

NCC(O)c1cc(-c2ccccc2)nc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.54
TACR3 P29371 2/20 0.51
LMNA P02545 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
KDM4E B2RXH2 1/20 0.50
PDE10A Q9Y233 1/20 0.50
TSHR P16473 1/20 0.48
DHODH Q02127 1/20 0.48
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.46
SLC2A1 P11166 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL14907424 0.86 LMNA (0.49) ACHETACR3LMNASMN1; SMN2KDM4E
SCHEMBL20414371 0.86 ACHE (0.47) ACHETACR3LMNASMN1; SMN2KDM4E
SCHEMBL28697794 0.84 TACR3 (0.52) ACHETACR3LMNASMN1; SMN2KDM4E
SCHEMBL18910858 0.83 ACHE (0.56) ACHETACR3LMNASMN1; SMN2KDM4E
SCHEMBL22914905 0.81 DHODH (0.58) ACHELMNASMN1; SMN2KDM4EPDE10A
SCHEMBL6218255 0.81 TSHR (0.54) ACHETACR3LMNASMN1; SMN2KDM4E
SCHEMBL7221673 0.79 ADORA2A (0.60) ACHETACR3LMNASMN1; SMN2KDM4E
SCHEMBL20414289 0.78 ALDH1A1 (0.44) TACR3LMNASMN1; SMN2KDM4EPDE10A
SCHEMBL12768139 0.77 ACHE (0.56) ACHETACR3LMNASMN1; SMN2KDM4E
SCHEMBL10868910 0.76 CYP2D6 (0.49) ACHELMNASMN1; SMN2KDM4EPDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8716265-B2 4-quinolinemethanols as anti-malarial agents JENRIN DISCOVERY, INC. (US) 2014-05-06 US disclosed
US-8716265-B2 4-quinolinemethanols as anti-malarial agents JENRIN DISCOVERY, INC. (US) 2014-05-06 US disclosed
US-20120178717-A1 4-QUINOLINEMETHANOLS AS ANTI-MALARIAL AGENTS JENRIN DISCOVERY (US) 2012-07-12 US disclosed
US-20120178717-A1 4-QUINOLINEMETHANOLS AS ANTI-MALARIAL AGENTS JENRIN DISCOVERY (US) 2012-07-12 US disclosed
WO-2012068560-A2 4-QUINOLINEMETHANOLS AS ANTI-MALARIAL AGENTS JENRIN DISCOVERY (US) 2012-05-24 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-20120178717-A1 4-QUINOLINEMETHANOLS AS ANTI-MALARIAL AGENTS CYP51A1, SQLE, NQO2 ACHE 237/4885TACR3 2943/4885LMNA 1686/4885

“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.