SCHEMBL27196501

SCHEMBL27196501

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

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 8/20 0.83
▸ ALOX12 P18054 7/20 0.83
▸ RAB9A P51151 7/20 0.83
▸ TDP1 Q9NUW8 6/20 0.83
▸ LMNA P02545 5/20 0.83
▸ KMT2A Q03164 5/20 0.83
▸ HTT P42858 3/20 0.83
▸ SMN1; SMN2 Q16637 3/20 0.83
▸ HSPA5 P11021 1/20 0.83
▸ KDM4E B2RXH2 9/20 0.79
▸ NPC1 O15118 7/20 0.57
▸ MITF O75030 1/20 0.57
▸ POLB P06746 3/20 0.57
▸ KDM1A O60341 1/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ USP2 O75604 1/20 0.55
▸ TP53 P04637 1/20 0.55
▸ ALOX15 P16050 1/20 0.55
▸ TSHR P16473 1/20 0.55
▸ MEN1 O00255 4/20 0.54

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 0.91 ALOX12 (1.00) HSP90AA1ALOX12RAB9ATDP1LMNA
SCHEMBL24634665 0.89 ALOX12 (0.85) HSP90AA1ALOX12RAB9ATDP1LMNA
SCHEMBL30876562 0.89 ALOX12 (0.85) HSP90AA1ALOX12RAB9ATDP1LMNA
SCHEMBL13236180 0.88 ALOX12 (1.00) HSP90AA1ALOX12RAB9ATDP1LMNA
SCHEMBL1812584 0.84 ALOX12 (0.77) HSP90AA1ALOX12RAB9ATDP1LMNA
SCHEMBL30876573 0.82 ALOX12 (0.75) HSP90AA1ALOX12RAB9ATDP1LMNA
SCHEMBL24634666 0.82 ALOX12 (0.75) HSP90AA1ALOX12RAB9ATDP1LMNA
SCHEMBL30876626 0.81 ALOX12 (0.69) HSP90AA1ALOX12RAB9ATDP1LMNA
SCHEMBL24634663 0.81 ALOX12 (0.69) HSP90AA1ALOX12RAB9ATDP1LMNA
SCHEMBL24634733 0.81 RAB9A (0.81) HSP90AA1ALOX12RAB9ATDP1LMNA

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-20240124419-A1 SMALL MOLECULE INHIBITORS OF GRP78 AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2024-04-18 — — 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-20240124419-A1 SMALL MOLECULE INHIBITORS OF GRP78 AND USES THEREOF HSPA5, HSPA2, PSMG3 HSP90AA1 26/4885ALOX12 2551/4885RAB9A 2566/4885

“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