SCHEMBL19203370

SCHEMBL19203370

CCC(C)(C)c1cccc2ccoc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
CASP3 P42574 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HTR1A P08908 1/20 0.33
DRD4 P21917 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 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
SCHEMBL19220449 0.88 EED (0.35) MEN1NPC1CYP1A2CYP3A4CYP2D6
SCHEMBL19386439 0.85 EED (0.33) MEN1NPC1CYP1A2CYP3A4CYP2D6
SCHEMBL2607624 0.81 CA2 (0.41) MEN1NPC1CYP1A2CYP3A4CYP2D6
SCHEMBL18541468 0.79 HTR1A (0.35) CYP1A2HTR1ADRD4HTR2AHTR2C
SCHEMBL23558251 0.75 HTR1A (0.34) HTR1A
SCHEMBL8406958 0.74 KCNH2 (0.32)
SCHEMBL20858639 0.73 KCNH2 (0.37) MEN1NPC1CYP1A2CYP3A4CYP2D6
SCHEMBL22023990 0.73 KCNA3 (0.37) NPC1MAPK1CASP3RAB9ASMN1; SMN2
SCHEMBL25702760 0.72
SCHEMBL2127614 0.71 ALDH1A1 (0.43) CYP1A2CYP3A4CYP2D6TDP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9884849-B2 Fluorinated benzofuranyl-pyrimidine derivatives containing a sulfoximine group BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-02-06 US disclosed
US-20170217938-A1 FLUORINATED BENZOFURANYL-PYRIMIDINE DERIVATIVES CONTAINING A SULFOXIMINE GROUP BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-08-03 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 (1 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-20170217938-A1 FLUORINATED BENZOFURANYL-PYRIMIDINE DERIVATIVES CONTAINING A SULFOXIMINE GROUP DHFR, FANCF, FANCI MEN1 2135/4885NPC1 2420/4885CYP1A2 376/4885

“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.