SCHEMBL13106207

SCHEMBL13106207

CCc1c2c(F)cccc2nn1C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HSP90AB1 P08238 1/20 0.39
▸ PARP1 P09874 2/20 0.35
▸ KAT2B Q92831 2/20 0.35
▸ MAOB P27338 1/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ PDE10A Q9Y233 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ SLC9A1 P19634 2/20 0.32
▸ KEAP1 Q14145 1/20 0.32
▸ BCHE P06276 1/20 0.32
▸ ACHE P22303 1/20 0.32
▸ TP53 P04637 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL13106353 0.72 HTR2C (0.36) PARP1KAT2BMEN1KMT2APDE10A
SCHEMBL28226985 0.72 PARP1 (0.35) HSP90AB1PARP1KAT2BMAOBMEN1
SCHEMBL27359770 0.71 PDE10A (0.38) HSP90AB1PARP1KAT2BMAOBMEN1
SCHEMBL13106202 0.71 MPO (0.42) MEN1KMT2AALDH1A1SLC9A1KEAP1
SCHEMBL28192985 0.70 ALDH1A1 (0.34) HSP90AB1PARP1KAT2BMAOBMEN1
SCHEMBL13106209 0.69 ALDH1A1 (0.44) HSP90AB1KAT2BMEN1KMT2AALDH1A1
SCHEMBL8536634 0.69 PARP1 (0.36) HSP90AB1PARP1KAT2BMAOBMEN1
SCHEMBL13106212 0.66 HTT (0.38) HSP90AB1PARP1MEN1KMT2APDE10A
SCHEMBL13106216 0.66 KDM4E (0.33) HSP90AB1MEN1KMT2APDE10ABCHE
SCHEMBL25235188 0.65 NQO2 (0.39) —

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-7812045-B2 Antifungal triazole derivatives DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2010-10-12 — — US disclosed
US-20080194661-A1 Antifungal Triazole Derivatives DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2008-08-14 — — 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-20080194661-A1 Antifungal Triazole Derivatives ERG28, CYP51A1, CYP3A43 HSP90AB1 975/4885PARP1 2201/4885KAT2B 3407/4885

“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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