SCHEMBL2752910

SCHEMBL2752910

Cc1cccc(C)c1-n1c[c]cc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CYP2A6 P11509 1/20 0.32
▸ ANPEP P15144 2/20 0.32
▸ DPP4 P27487 2/20 0.32
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA7 P43166 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ ACHE P22303 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
SCHEMBL2752377 0.75 CA1 (0.38) ALDH1A1MEN1POLBKMT2ACA1
SCHEMBL10407875 0.72 CYP1A2 (0.47) CYP1A2CYP2C19ALDH1A1MEN1POLB
SCHEMBL5535953 0.70 ELANE (0.38) ALDH1A1MEN1POLBKMT2ACYP2A6
SCHEMBL2750548 0.68 HSD17B10 (0.43) ALDH1A1MEN1KMT2ATSHR
SCHEMBL2751547 0.68 ALDH1A1 (0.33) CYP1A2CYP2C19ALDH1A1MEN1KMT2A
SCHEMBL19233639 0.65 ACHE (0.36) CYP1A2CYP2C19ALDH1A1MEN1POLB
SCHEMBL2749913 0.64 DRD2 (0.41) CYP1A2CYP2C19TSHR
SCHEMBL2752493 0.64 KDM4E (0.34) ALDH1A1
SCHEMBL12841351 0.64 CYP1A2 (0.38) CYP1A2ALDH1A1MEN1POLBKMT2A
SCHEMBL300208 0.63 KEAP1 (0.42) ALDH1A1MEN1POLBKMT2A

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 CYP1A2 1087/4885CYP2C19 1951/4885ALDH1A1 1588/4885
US-20100077512-A1 Pyridazin-4-ylmethyl-sulfonamides used as Fungicides and Against Arthropods PIR, PRDX4, PRDX2 CYP1A2 149/4885CYP2C19 898/4885ALDH1A1 2607/4885

“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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