SCHEMBL2749913

SCHEMBL2749913

Clc1cccc(-n2c[c]cc2)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 8/20 0.41
▸ DRD3 P35462 8/20 0.41
▸ ADRB1 P08588 1/20 0.41
▸ NOTUM Q6P988 3/20 0.37
▸ DRD4 P21917 1/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ TSHR P16473 1/20 0.34
▸ P2RX7 Q99572 4/20 0.34
▸ HCAR1 Q9BXC0 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
SCHEMBL4672464 0.77 DRD2 (0.47) DRD2DRD3ADRB1NOTUMDRD4
SCHEMBL32680208 0.69 NOTUM (0.50) DRD2DRD3ADRB1NOTUMDRD4
SCHEMBL2749887 0.69 TP53 (0.38) NOTUMCYP3A4TSHR
SCHEMBL2753038 0.69 MAPT (0.40) NOTUMCYP3A4TSHR
SCHEMBL2753389 0.69 ALDH1A1 (0.41) ADRB1CYP1A2CYP2C19TSHRHCAR1
SCHEMBL2751168 0.68 ALDH1A1 (0.35) CYP1A2CYP3A4CYP2D6CYP2C19TSHR
SCHEMBL10509165 0.68 CYP1A2 (0.41) DRD2DRD3ADRB1NOTUMDRD4
SCHEMBL20766907 0.68 CYP3A4 (0.64) DRD2DRD3ADRB1NOTUMCYP1A2
SCHEMBL2753769 0.68 NOTUM (0.44) DRD2DRD3ADRB1NOTUMDRD4
SCHEMBL1969402 0.67 NOTUM (0.43) DRD2DRD3ADRB1NOTUMDRD4

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 5 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
EP-2064190-A1 PYRIMIDYLMETHYL-SULFONAMIDE COMPOUNDS USEFUL AS FUNGICIDES AND AGAINST ARTHROPODS BASF SE (DE) 2009-06-03 — — EP disclosed
WO-2008062011-A1 PYRIMIDYLMETHYL-SULFONAMIDE COMPOUNDS USEFUL AS FUNGICIDES AND AGAINST ARTHROPODS BASF SE (DE) 2008-05-29 — — 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 (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 DRD2 3190/4885DRD3 3052/4885ADRB1 4650/4885
US-20100077512-A1 Pyridazin-4-ylmethyl-sulfonamides used as Fungicides and Against Arthropods PIR, PRDX4, PRDX2 DRD2 3235/4885DRD3 2485/4885ADRB1 4027/4885

“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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