SCHEMBL24634615

SCHEMBL24634615

CCCC(=O)NC(c1cccnc1)c1cc(Br)c2cccnc2c1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX12 P18054 7/20 0.61
▸ RAB9A P51151 12/20 0.60
▸ HSP90AA1 P07900 9/20 0.60
▸ NPC1 O15118 8/20 0.60
▸ KMT2A Q03164 7/20 0.60
▸ L3MBTL1 Q9Y468 6/20 0.60
▸ KDM1A O60341 1/20 0.57
▸ TDP1 Q9NUW8 7/20 0.56
▸ KDM4E B2RXH2 6/20 0.56
▸ LMNA P02545 5/20 0.56
▸ SMN1; SMN2 Q16637 4/20 0.56
▸ MITF O75030 1/20 0.56
▸ MEN1 O00255 4/20 0.56
▸ PAX8 Q06710 2/20 0.56
▸ HTT P42858 5/20 0.55
▸ TP53 P04637 2/20 0.55
▸ USP2 O75604 1/20 0.55
▸ ALOX15 P16050 1/20 0.55
▸ TSHR P16473 1/20 0.55
▸ NPSR1 Q6W5P4 2/20 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
SCHEMBL30876560 1.00 ALOX12 (0.61) ALOX12RAB9AHSP90AA1NPC1KMT2A
SCHEMBL24634712 0.89 HSP90AA1 (0.58) ALOX12RAB9AHSP90AA1NPC1KMT2A
SCHEMBL30876601 0.89 HSP90AA1 (0.58) ALOX12RAB9AHSP90AA1NPC1KMT2A
SCHEMBL24634688 0.89 RAB9A (0.52) ALOX12RAB9AHSP90AA1NPC1KMT2A
SCHEMBL30876618 0.89 RAB9A (0.52) ALOX12RAB9AHSP90AA1NPC1KMT2A
SCHEMBL24634759 0.88 KDM1A (0.72) ALOX12RAB9AHSP90AA1NPC1KMT2A
SCHEMBL30876668 0.88 ADAMTS5 (0.63) ALOX12RAB9AHSP90AA1NPC1KMT2A
SCHEMBL30876584 0.88 KDM1A (0.72) ALOX12RAB9AHSP90AA1NPC1KMT2A
SCHEMBL24634753 0.88 ADAMTS5 (0.63) ALOX12RAB9AHSP90AA1NPC1KMT2A
SCHEMBL24634651 0.88 RAB9A (0.58) ALOX12RAB9AHSP90AA1NPC1KMT2A

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-20240124419-A1 SMALL MOLECULE INHIBITORS OF GRP78 AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2024-04-18 — — US disclosed
WO-2022169834-A2 SMALL MOLECULE INHIBITORS OF GRP78 AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2022-08-11 — — 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-20240124419-A1 SMALL MOLECULE INHIBITORS OF GRP78 AND USES THEREOF HSPA5, HSPA2, PSMG3 ALOX12 2551/4885RAB9A 2566/4885HSP90AA1 26/4885

“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.

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