SCHEMBL3891985

SCHEMBL3891985

O=C(COc1ccccn1)COc1ccccn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.54
NPC1 O15118 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
RAB9A P51151 2/20 0.51
PSMB5 P28074 1/20 0.49
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
ALDH1A1 P00352 3/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
LMNA P02545 3/20 0.42
P4HTM Q9NXG6 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
NAPRT Q6XQN6 1/20 0.42
GAA P10253 2/20 0.41
GRM4 Q14833 1/20 0.41
KDM4E B2RXH2 2/20 0.41
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41
CCR1 P32246 1/20 0.41

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
Bromide SCHEMBL7972901 0.87 TSHR (0.48) TSHRNPC1SMN1; SMN2RAB9APSMB5
SCHEMBL176214 0.86 ALOX15 (0.55) TSHRNPC1SMN1; SMN2RAB9APSMB5
SCHEMBL30746861 0.86 ALOX15 (0.55) TSHRNPC1SMN1; SMN2RAB9APSMB5
Hydrochloric Acid SCHEMBL31124708 0.84 ALOX15 (0.53) TSHRNPC1SMN1; SMN2RAB9APSMB5
SCHEMBL11245928 0.84 TSHR (0.51) TSHRNPC1SMN1; SMN2RAB9APSMB5
Hydrochloric Acid SCHEMBL1280719 0.84 ALOX15 (0.53) TSHRNPC1SMN1; SMN2RAB9APSMB5
SCHEMBL7969480 0.84 TSHR (0.55) TSHRNPC1SMN1; SMN2RAB9APSMB5
SCHEMBL1178753 0.84 TSHR (0.51) TSHRNPC1SMN1; SMN2RAB9APSMB5
Hydrochloric Acid SCHEMBL11258002 0.82 TSHR (0.50) TSHRNPC1SMN1; SMN2RAB9APSMB5
SCHEMBL7583697 0.81 TSHR (0.56) TSHRNPC1SMN1; SMN2RAB9APSMB5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1660464-B1 CASPASE INHIBITORS CONTAINING ISOXAZOLINE RING LG LIFE SCIENCES LTD (KR) 2015-02-25 EP disclosed
US-7557133-B2 Caspase inhibitors containing isoxazoline ring LG LIFE SCIENCES LTD. (KR) 2009-07-07 US disclosed
EP-1660464-A4 CASPASE INHIBITORS CONTAINING ISOXAZOLINE RING LG LIFE SCIENCES LTD (KR) 2008-11-26 EP disclosed
US-20060223848-A1 Caspase inhibitors containing isoxazoline ring LG CHEM, LTD. (KR) 2006-10-05 US disclosed
EP-1660464-A1 CASPASE INHIBITORS CONTAINING ISOXAZOLINE RING LG Life Sciences Ltd. (KR) 2006-05-31 EP disclosed
WO-2005021516-A1 CASPASE INHIBITORS CONTAINING ISOXAZOLINE RING LG LIFE SCIENCES LTD. (KR) 2005-03-10 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-20060223848-A1 Caspase inhibitors containing isoxazoline ring CASP1, CASP7, CASP2 TSHR 4742/4885NPC1 1937/4885SMN1; SMN2 2866/4885

“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.