SCHEMBL24251609

SCHEMBL24251609

COC(=O)c1ccc2c(-c3c(F)cccc3F)c(C)nn2c1C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ CASP3 P42574 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SENP8 Q96LD8 1/20 0.35
▸ SENP7 Q9BQF6 1/20 0.35
▸ SENP6 Q9GZR1 1/20 0.35
▸ RORC P51449 1/20 0.35
▸ MAPT P10636 5/20 0.35
▸ LMNA P02545 2/20 0.35
▸ THRB P10828 1/20 0.35
▸ SPR P35270 1/20 0.34
▸ PDE4B Q07343 1/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33

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
SCHEMBL23355443 0.84 KMT2A (0.38) KMT2ASMN1; SMN2NPC1CASP3RAB9A
SCHEMBL23355480 0.82 KMT2A (0.37) KMT2ASMN1; SMN2NPC1CASP3RAB9A
SCHEMBL23355473 0.81 KMT2A (0.36) KMT2ASMN1; SMN2NPC1CASP3RAB9A
SCHEMBL30933439 0.77 ALDH1A1 (0.36) KMT2ASMN1; SMN2NPC1RAB9AMAPT
SCHEMBL23355444 0.77 ALDH1A1 (0.36) KMT2ASMN1; SMN2NPC1RAB9AMAPT
SCHEMBL24251517 0.74 HSD17B2 (0.41) MAPK1
SCHEMBL23355436 0.71 JAK1 (0.39) KMT2ASMN1; SMN2NPC1RAB9AMAPT
SCHEMBL23355434 0.71 GAA (0.46) KMT2ALMNAKDM4EALDH1A1HPGD
SCHEMBL23355438 0.71 PDE4B (0.35) RORCMAPTPDE4BPDE4DKDM4E
SCHEMBL24251378 0.69 IMPDH2 (0.37) MAPTLMNATHRBALDH1A1

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-20220048903-A1 Anthelminthic Heterocyclic Compounds BOEHRINGER INGELHEIM VETMEDICA GMBH (DE) 2022-02-17 — — 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-20220048903-A1 Anthelminthic Heterocyclic Compounds SDHA, PAH, PIGS KMT2A 1440/4885SMN1; SMN2 1649/4885NPC1 1136/4885

“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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