SCHEMBL2750412

SCHEMBL2750412

Cn1c[c]cc1-c1ccc(F)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
NOTUM Q6P988 1/20 0.33
TGFBR1 P36897 1/20 0.33
PGR P06401 2/20 0.32
CYP17A1 P05093 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
ALDH1A1 P00352 2/20 0.31
CYP1A2 P05177 2/20 0.31
USP2 O75604 1/20 0.31
CYP3A4 P08684 1/20 0.31
HSD17B10 Q99714 1/20 0.31
KDM5A P29375 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
KDM5B Q9UGL1 1/20 0.31
PTGS2 P35354 2/20 0.31
GAA P10253 1/20 0.31
CYP2C9 P11712 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
SCHEMBL2752215 0.76 USP2 (0.45) ARNPC1RAB9ANOTUMALDH1A1
SCHEMBL2753123 0.74 CYP17A1 (0.35) ARNPC1RAB9ANOTUMTGFBR1
SCHEMBL2751459 0.74 METAP2 (0.33)
SCHEMBL2750849 0.73 CYP11B1 (0.38) ARNPC1RAB9ANOTUMTGFBR1
SCHEMBL2753196 0.73 PTPN1 (0.35) GABRG2GABRB3GABRA5GABRA3
SCHEMBL2753488 0.71 ALDH1A1 (0.39) ARALDH1A1GAA
SCHEMBL2752728 0.71 SMN1; SMN2 (0.44) CYP1A2CYP2C19
SCHEMBL5953824 0.70 PCSK9 (0.42) NPC1RAB9AALDH1A1CYP1A2CYP3A4
SCHEMBL2752067 0.69 DPP4 (0.40) ARALDH1A1KDM5AKDM4CKDM5B
SCHEMBL2753252 0.68 BRD9 (0.33)

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 AR 2804/4885NPC1 4195/4885RAB9A 2914/4885
US-20100077512-A1 Pyridazin-4-ylmethyl-sulfonamides used as Fungicides and Against Arthropods PIR, PRDX4, PRDX2 AR 1572/4885NPC1 4528/4885RAB9A 3677/4885

“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.