SCHEMBL13236180

SCHEMBL13236180

CCC(=O)NC(c1ccc2c(c1)OCO2)c1cc(Cl)c2cccnc2c1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX12 P18054 12/20 1.00
▸ KDM4E B2RXH2 10/20 1.00
▸ RAB9A P51151 9/20 0.88
▸ HSP90AA1 P07900 6/20 0.88
▸ LMNA P02545 4/20 0.88
▸ TDP1 Q9NUW8 4/20 0.88
▸ KMT2A Q03164 3/20 0.88
▸ SMN1; SMN2 Q16637 3/20 0.88
▸ HTT P42858 3/20 0.88
▸ HSPA5 P11021 1/20 0.88
▸ L3MBTL1 Q9Y468 3/20 0.72
▸ NPC1 O15118 8/20 0.69
▸ MEN1 O00255 2/20 0.69
▸ POLB P06746 2/20 0.67
▸ MITF O75030 1/20 0.61
▸ KDM1A O60341 1/20 0.59
▸ USP2 O75604 1/20 0.58
▸ TP53 P04637 1/20 0.58
▸ ALOX15 P16050 1/20 0.58
▸ TSHR P16473 1/20 0.58

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
SCHEMBL27196428 0.94 ALOX12 (1.00) ALOX12KDM4ERAB9AHSP90AA1LMNA
SCHEMBL30876562 0.92 ALOX12 (0.85) ALOX12KDM4ERAB9AHSP90AA1LMNA
SCHEMBL24634665 0.92 ALOX12 (0.85) ALOX12KDM4ERAB9AHSP90AA1LMNA
SCHEMBL27196501 0.88 HSP90AA1 (0.83) ALOX12KDM4ERAB9AHSP90AA1LMNA
SCHEMBL1812584 0.87 ALOX12 (0.77) ALOX12KDM4ERAB9AHSP90AA1LMNA
SCHEMBL24634666 0.86 ALOX12 (0.75) ALOX12KDM4ERAB9AHSP90AA1LMNA
SCHEMBL30876573 0.86 ALOX12 (0.75) ALOX12KDM4ERAB9AHSP90AA1LMNA
SCHEMBL24634658 0.86 ALOX12 (0.75) ALOX12KDM4ERAB9AHSP90AA1LMNA
SCHEMBL30876703 0.86 ALOX12 (0.75) ALOX12KDM4ERAB9AHSP90AA1LMNA
SCHEMBL30876557 0.85 ALOX12 (0.74) ALOX12KDM4ERAB9AHSP90AA1LMNA

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-20100190832-A1 Mechanism-based inhibitors of transthyretin amyloidosis: studies with biphenyl ethers and structural templates NATIONAL INSTITUTE OF IMMUNOLOGY. 2010-07-29 — — US disclosed
US-20100190832-A1 Mechanism-based inhibitors of transthyretin amyloidosis: studies with biphenyl ethers and structural templates NATIONAL INSTITUTE OF IMMUNOLOGY. 2010-07-29 — — 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-20100190832-A1 Mechanism-based inhibitors of transthyretin amyloidosis: studies with biphenyl ethers and structural templates TTR, TPR, POT1 ALOX12 2815/4885KDM4E 678/4885RAB9A 4640/4885

“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.

Send feedback