SCHEMBL22358346

SCHEMBL22358346

Cc1nn(C)c2cc(C3=NCC(C4CCN(C(=O)CNC(=O)c5ccccc5)C4)=N3)ccc12

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LDHA P00338 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CCR2 P41597 5/20 0.38
ALDH1A1 P00352 1/20 0.37
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
PREP P48147 2/20 0.35
DPP4 P27487 1/20 0.35
FAP Q12884 1/20 0.35
THRA P10827 1/20 0.35
VDR P11473 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL26999735 0.81 TUBB4A (0.47) LDHASMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL20116129 0.78 TUBB4A (0.50) LDHASMN1; SMN2
SCHEMBL30552726 0.78 TUBB4A (0.50) LDHASMN1; SMN2
SCHEMBL22357963 0.78 SMN1; SMN2 (0.43) LDHASMN1; SMN2RAB9ATHRAVDR
SCHEMBL22357989 0.78 LDHA (0.54) LDHASMN1; SMN2
SCHEMBL22259656 0.74 SMN1; SMN2 (0.42) LDHASMN1; SMN2RAB9A
SCHEMBL20116109 0.72 TUBB4A (0.50) LDHASMN1; SMN2
SCHEMBL30506327 0.72 TUBB4A (0.50) LDHASMN1; SMN2
SCHEMBL20116628 0.72 TUBB4A (0.46)
SCHEMBL20116134 0.71 KMT2A (0.43) LDHASMN1; SMN2NPC1GAARAB9A

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-11873298-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-01-16 US disclosed
US-20200262828-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2020-08-20 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 (2 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-11873298-B2 Compounds and uses thereof NLN, ACHE, CLN6 LDHA 1044/4885SMN1; SMN2 13/4885CCR2 3600/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 LDHA 1044/4885SMN1; SMN2 13/4885CCR2 3600/4885

“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.