SCHEMBL30285633

SCHEMBL30285633

O=C(Cc1cccc(F)c1Cl)Nc1cnnc(Nc2ccc(F)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.49
▸ ANO1 Q5XXA6 1/20 0.47
▸ P2RX4 Q99571 3/20 0.40
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ NPC1 O15118 3/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ TSHR P16473 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ KCNJ5 P48544 3/20 0.38
▸ KCNJ3 P48549 3/20 0.38
▸ HDAC3 O15379 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ NCOR2 Q9Y618 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ CASP3 P42574 1/20 0.37

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
SCHEMBL26186449 1.00 ALDH1A1 (0.49) ALDH1A1ANO1P2RX4SMN1; SMN2NPC1
SCHEMBL30285888 0.93 ANO1 (0.48) ALDH1A1ANO1P2RX4SMN1; SMN2NPC1
SCHEMBL26186445 0.93 ANO1 (0.48) ALDH1A1ANO1P2RX4SMN1; SMN2NPC1
SCHEMBL30285757 0.92 ANO1 (0.47) ALDH1A1ANO1P2RX4SMN1; SMN2NPC1
SCHEMBL24173312 0.92 ANO1 (0.47) ALDH1A1ANO1P2RX4SMN1; SMN2NPC1
SCHEMBL30285782 0.91 ANO1 (0.46) ALDH1A1ANO1P2RX4SMN1; SMN2NPC1
SCHEMBL24173311 0.91 ANO1 (0.46) ALDH1A1ANO1P2RX4SMN1; SMN2NPC1
SCHEMBL30285722 0.91 ANO1 (0.46) ALDH1A1ANO1P2RX4SMN1; SMN2NPC1
SCHEMBL26186458 0.91 ANO1 (0.46) ALDH1A1ANO1P2RX4SMN1; SMN2NPC1
SCHEMBL30285528 0.87 KCNJ5 (0.50) ALDH1A1ANO1P2RX4SMN1; SMN2KCNJ5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115996911-A Substituted N-phenylacetamides having P2X4 receptor antagonistic activity 拜耳公司 2023-04-21 — — CN claimed
US-20230257351-A1 SUBSTITUTED N-PHENYLACETAMIDES HAVING P2X4 RECEPTOR ANTAGONISTIC ACTIVITY BAYER AKTIENGESELLSCHAFT (DE) 2023-08-17 — — US disclosed
CN-115996911-A Substituted N-phenylacetamides having P2X4 receptor antagonistic activity 拜耳公司 2023-04-21 — — CN 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-20230257351-A1 SUBSTITUTED N-PHENYLACETAMIDES HAVING P2X4 RECEPTOR ANTAGONISTIC ACTIVITY P2RX2, P2RX5, P2RX3 ALDH1A1 882/4885ANO1 964/4885P2RX4 4/4885

“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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