SCHEMBL12828997

SCHEMBL12828997

O=C(NCCc1ccc(Cl)cc1)C1=NOC(c2ccco2)C1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.49
LMNA P02545 5/20 0.49
NPC1 O15118 6/20 0.45
RAB9A P51151 6/20 0.45
CACNA1B Q00975 1/20 0.45
APBA1 Q02410 1/20 0.45
TP53 P04637 1/20 0.44
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
GAA P10253 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
GFER P55789 1/20 0.42
POLB P06746 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
SCHEMBL12828280 0.90 RAB9A (0.55) MAPTLMNANPC1RAB9AKDM4E
SCHEMBL12828600 0.89 RAB9A (0.43) MAPTLMNANPC1RAB9AKDM4E
SCHEMBL12828599 0.88 RAB9A (0.45) MAPTLMNANPC1RAB9AKDM4E
SCHEMBL12828993 0.88 RAB9A (0.44) LMNANPC1RAB9ATP53SMN1; SMN2
SCHEMBL12828533 0.85 ALPL (0.43) MAPTLMNANPC1RAB9AKDM4E
SCHEMBL12828886 0.83 NAMPT (0.48) MAPTLMNANPC1RAB9ACACNA1B
SCHEMBL12828521 0.82 TP53 (0.46) MAPTLMNANPC1RAB9ATP53
SCHEMBL12828881 0.82 ALDH1A1 (0.55) MAPTLMNATP53KDM4ESMN1; SMN2
SCHEMBL12828532 0.79 ALDH1A1 (0.46) MAPTLMNANPC1RAB9AKDM4E
SCHEMBL12828281 0.76 KMT2A (0.40) RAB9ASMN1; SMN2KMT2AMEN1ALDH1A1

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-7915297-B2 Isoxazole derivatives and use thereof SK HOLDINGS CO., LTD. (KR) 2011-03-29 US disclosed
US-20090131336-A1 Isoxazole Derivatives and Use Thereof SK BIOPHARMACEUTICALS CO., LTD. (KR) 2009-05-21 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-20090131336-A1 Isoxazole Derivatives and Use Thereof WNT3A, WNT1, WNT3 MAPT 2497/4885LMNA 2934/4885NPC1 2242/4885

“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.