SCHEMBL2753831

SCHEMBL2753831

COc1cc(OC)cc(-c2nc[c]s2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 6/20 0.47
CYP1B1 Q16678 6/20 0.47
CYP1A2 P05177 3/20 0.43
CYP2E1 P05181 3/20 0.43
CYP3A4 P08684 3/20 0.43
CYP2C8 P10632 3/20 0.43
CYP2D6 P10635 3/20 0.43
CYP2A6 P11509 3/20 0.43
CYP2C9 P11712 3/20 0.43
CYP4B1 P13584 3/20 0.43
CYP2B6 P20813 3/20 0.43
CYP3A5 P20815 3/20 0.43
CYP2A7 P20853 3/20 0.43
CYP3A7 P24462 3/20 0.43
CYP2F1 P24903 3/20 0.43
CYP2C18 P33260 3/20 0.43
CYP2C19 P33261 3/20 0.43
CYP2J2 P51589 3/20 0.43
CYP4F2 P78329 3/20 0.43
CYP4F8 P98187 3/20 0.43

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
SCHEMBL17206220 0.82 DYRK1A (0.57) CYP1A1CYP1B1CYP1A2CYP2E1CYP3A4
SCHEMBL9199525 0.81 CLK4 (0.50) ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL2753514 0.75 ALDH1A1 (0.45) CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL2751792 0.73 ALDH1A1 (0.42) CYP1A1CYP1B1CYP1A2CYP2E1CYP3A4
SCHEMBL27666081 0.73 CYP1A1 (0.53) CYP1A1CYP1B1CYP1A2CYP2E1CYP3A4
SCHEMBL2751040 0.72 TSHR (0.33) SMN1; SMN2RXRA
SCHEMBL9953126 0.72 CYP2A6 (0.49) CYP2A6
SCHEMBL2752160 0.70 CYP1A1 (0.55) CYP1A1CYP1B1CYP1A2CYP2E1CYP3A4
SCHEMBL2954516 0.68 ALDH1A1 (0.79) CYP1A1CYP1B1CYP1A2CYP2E1CYP3A4
SCHEMBL2752725 0.68 CYP1B1 (0.50) CYP1A1CYP1B1CYP1A2CYP2E1CYP3A4

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 CYP1A1 1616/4885CYP1B1 1464/4885CYP1A2 1087/4885
US-20100077512-A1 Pyridazin-4-ylmethyl-sulfonamides used as Fungicides and Against Arthropods PIR, PRDX4, PRDX2 CYP1A1 599/4885CYP1B1 622/4885CYP1A2 149/4885

“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.