SCHEMBL2753799

SCHEMBL2753799

Cn1[c]cc(-c2cc(Cl)cc(Cl)c2)n1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CYP1A2 P05177 2/20 0.33
▸ KMO O15229 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ TSHR P16473 1/20 0.31
▸ NPSR1 Q6W5P4 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
SCHEMBL16447242 0.81 NPC1 (0.39) SMN1; SMN2TSHR
SCHEMBL2751298 0.78 ADORA2A (0.30) —
SCHEMBL2751108 0.77 AHR (0.43) SMN1; SMN2CYP1A2KMOCYP2C19
SCHEMBL2753944 0.73 PRMT5 (0.33) CYP1A2CYP2C19NPSR1
SCHEMBL2752324 0.73 ALDH1A1 (0.39) CYP1A2KMOPOLBCYP2C19
SCHEMBL2753914 0.73 IDO1 (0.44) NPSR1
SCHEMBL2751070 0.72 HSD11B1 (0.49) —
SCHEMBL1459661 0.71 DYRK1A (0.41) —
SCHEMBL2751961 0.70 MAPT (0.39) SMN1; SMN2POLB
SCHEMBL2750862 0.66 NOTUM (0.45) KMO

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
US-8178540-B2 Pyrimidylmethyl-sulfonamide compounds BASF SE (DE) 2012-05-15 — — US disclosed
US-20100077512-A1 Pyridazin-4-ylmethyl-sulfonamides used as Fungicides and Against Arthropods BASF SE (DE) 2010-03-25 — — US disclosed
US-20100069243-A1 Pyrimidylmethyl-Sulfonamide Compounds BASF SE (DE) 2010-03-18 — — 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-20100069243-A1 Pyrimidylmethyl-Sulfonamide Compounds TPMT, NISCH, PPA1 SMN1; SMN2 768/4885CYP1A2 1087/4885KMO 325/4885
US-20100077512-A1 Pyridazin-4-ylmethyl-sulfonamides used as Fungicides and Against Arthropods PIR, PRDX4, PRDX2 SMN1; SMN2 824/4885CYP1A2 149/4885KMO 101/4885

“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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