SCHEMBL2752725

SCHEMBL2752725

COc1cc(OC)cc(-c2n[c]cs2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 7/20 0.50
CYP1A1 P04798 6/20 0.50
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 3/20 0.41
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP1A2 P05177 3/20 0.41
CYP2E1 P05181 3/20 0.41
CYP3A4 P08684 3/20 0.41
CYP2C8 P10632 3/20 0.41
CYP2D6 P10635 3/20 0.41
CYP2A6 P11509 3/20 0.41
CYP2C9 P11712 3/20 0.41
CYP4B1 P13584 3/20 0.41
CYP2B6 P20813 3/20 0.41
CYP3A5 P20815 3/20 0.41

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
SCHEMBL695101 0.81 KDM4E (0.46) ALDH1A1KDM4EHPGDSMN1; SMN2TDP1
SCHEMBL2753557 0.74 ALDH1A1 (0.41) CYP1B1CYP1A1ALDH1A1KDM4EHPGD
SCHEMBL2753493 0.74 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDSMN1; SMN2MEN1
SCHEMBL2752990 0.73 MEN1 (0.46) CYP1B1CYP1A1ALDH1A1KDM4EHPGD
SCHEMBL2750366 0.71 CYP1A1 (0.57) CYP1B1CYP1A1ALDH1A1KDM4EHPGD
SCHEMBL2752239 0.70 HRH3 (0.33)
SCHEMBL2753831 0.68 CYP1A1 (0.47) CYP1B1CYP1A1ALDH1A1KDM4EHPGD
SCHEMBL2954516 0.67 ALDH1A1 (0.79) CYP1B1CYP1A1ALDH1A1CYP1A2CYP2E1
SCHEMBL28225145 0.67 CYP1A1 (0.69) CYP1B1CYP1A1ALDH1A1KDM4EHPGD
SCHEMBL8046027 0.67 CYP1A1 (0.46) CYP1B1CYP1A1ALDH1A1KDM4EHPGD

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 CYP1B1 1464/4885CYP1A1 1616/4885ALDH1A1 1588/4885
US-20100077512-A1 Pyridazin-4-ylmethyl-sulfonamides used as Fungicides and Against Arthropods PIR, PRDX4, PRDX2 CYP1B1 622/4885CYP1A1 599/4885ALDH1A1 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.