SCHEMBL5888633

SCHEMBL5888633

C[C@H](NC(=O)CCCc1ccccc1)c1cccc(-c2cccnc2)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ LMNA P02545 2/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ KCNA5 P22460 1/20 0.50
▸ PRCP P42785 1/20 0.48
▸ CTSL P07711 2/20 0.48
▸ CTSS P25774 2/20 0.48
▸ CTSK P43235 1/20 0.48
▸ HPGD P15428 1/20 0.47
▸ PTAFR P25105 1/20 0.46
▸ CTSA P10619 1/20 0.45
▸ OXGR1 Q96P68 1/20 0.45
▸ SUCNR1 Q9BXA5 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ CTSV O60911 1/20 0.45
▸ CTSB P07858 1/20 0.45
▸ EPHX2 P34913 1/20 0.45

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
SCHEMBL30795674 1.00 ALDH1A1 (0.54) ALDH1A1KMT2ASMN1; SMN2LMNARAB9A
SCHEMBL5218642 1.00 ALDH1A1 (0.54) ALDH1A1KMT2ASMN1; SMN2LMNARAB9A
SCHEMBL5888420 0.97 ALDH1A1 (0.50) ALDH1A1KMT2ASMN1; SMN2LMNARAB9A
SCHEMBL5888153 0.94 PRCP (0.54) ALDH1A1KMT2ASMN1; SMN2LMNARAB9A
SCHEMBL5888147 0.94 PRCP (0.54) ALDH1A1KMT2ASMN1; SMN2LMNARAB9A
SCHEMBL5888533 0.82 KMT2A (0.56) ALDH1A1KMT2APRCP
SCHEMBL5888528 0.82 KMT2A (0.56) ALDH1A1KMT2APRCP
SCHEMBL5888341 0.81 CTSL (0.49) ALDH1A1KMT2AKCNA5CTSLCTSS
SCHEMBL5215121 0.81 CTSL (0.49) ALDH1A1KMT2AKCNA5CTSLCTSS
SCHEMBL5888499 0.79 CTSL (0.49) ALDH1A1KMT2AKCNA5PRCPCTSL

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
US-7135472-B2 3-Heterocyclic benzylamide derivatives as potassium channel openers BRISTOL-MYERS SQUIBB COMPANY (US) 2006-11-14 — — US claimed
US-20040106621-A1 3-Heterocyclic benzylamide derivatives as potassium channel openers BRISTOL-MYERS SQUIBB COMPANY 2004-06-03 — — US claimed
WO-2024054807-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND TDP-43 MODULATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 — — WO disclosed
WO-2024050389-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND NMDA RECEPTOR ANTAGONISTS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-07 — — WO disclosed
US-7135472-B2 3-Heterocyclic benzylamide derivatives as potassium channel openers BRISTOL-MYERS SQUIBB COMPANY (US) 2006-11-14 — — US disclosed
US-20040106621-A1 3-Heterocyclic benzylamide derivatives as potassium channel openers BRISTOL-MYERS SQUIBB COMPANY 2004-06-03 — — 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-20040106621-A1 3-Heterocyclic benzylamide derivatives as potassium channel openers KCNQ3, KCNQ5, KCNQ2 ALDH1A1 1430/4885KMT2A 185/4885SMN1; SMN2 2762/4885

“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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