SCHEMBL21612004

SCHEMBL21612004

Fc1ccc(Oc2ccc3[nH]c(CSc4ccnc(C(F)(F)F)c4)nc3c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 3/20 0.44
▸ NPC1 O15118 4/20 0.36
▸ RAB9A P51151 4/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ POLB P06746 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ TYMS P04818 2/20 0.33
▸ ENPP1 P22413 1/20 0.33
▸ RAF1 P04049 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ BRD4 O60885 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
SCHEMBL21611983 0.92 PDE10A (0.48) PDE10ANPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL21611967 0.91 PDE10A (0.42) PDE10ANPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL21614775 0.88 PDE10A (0.42) PDE10ANPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL21612046 0.85 MAPT (0.41) PDE10ARAB9ASMN1; SMN2CYP1A2POLB
SCHEMBL26260643 0.84 ABCB1 (0.40) PDE10ANPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL25399746 0.81 NPC1 (0.40) PDE10ANPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL30579945 0.81 NPC1 (0.40) PDE10ANPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL30040677 0.81 NPC1 (0.40) PDE10ANPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL21611980 0.81 NPC1 (0.48) PDE10ANPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL30579946 0.81 NPC1 (0.40) PDE10ANPC1RAB9ASMN1; SMN2CYP1A2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210353606-A1 PqsR INVERSE AGONISTS Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2021-11-18 — — US disclosed
EP-3818045-A1 PQSR INVERSE AGONISTS Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2021-05-12 — — EP disclosed
WO-2020007938-A1 PqsR INVERSE AGONISTS Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2020-01-09 — — WO disclosed
WO-2020007938-A1 PqsR INVERSE AGONISTS Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2020-01-09 — — 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-20210353606-A1 PqsR INVERSE AGONISTS QRFPR, P2RY11, QARS1 PDE10A 294/4885NPC1 4357/4885RAB9A 722/4885

“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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