SCHEMBL4093081

SCHEMBL4093081

Cc1cc(C(=O)CCC(=O)NCc2cccnc2)ccc1F

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.59
MAPT P10636 1/20 0.55
MAPK1 P28482 1/20 0.55
NAMPT P43490 1/20 0.53
CYP3A4 P08684 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
ALDH1A1 P00352 3/20 0.52
GAA P10253 1/20 0.51
NOTUM Q6P988 1/20 0.49
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
VNN1 O95497 1/20 0.47
FAAH O00519 1/20 0.47

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
SCHEMBL4092146 0.89 HSD17B1 (0.59) HSD17B1MAPTMAPK1CYP3A4CYP1A2
SCHEMBL4085750 0.83 MAPT (0.59) HSD17B1MAPTCYP3A4CYP1A2CYP2C9
SCHEMBL4085506 0.82 GAA (0.57) HSD17B1MAPTNAMPTCYP3A4CYP1A2
SCHEMBL4096345 0.80 HSD17B1 (0.62) HSD17B1MAPTMAPK1CYP3A4CYP1A2
SCHEMBL16610098 0.79 MAPT (0.84) MAPTCYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL4095816 0.76 HSD17B1 (0.55) HSD17B1MAPK1CYP3A4CYP1A2CYP2C19
SCHEMBL4093192 0.76 GAA (0.67) HSD17B1MAPTMAPK1CYP3A4CYP1A2
SCHEMBL14489847 0.75 HSD17B1 (0.54) HSD17B1MAPTCYP3A4CYP1A2CYP2C9
SCHEMBL8234001 0.75 CYP3A4 (0.81) MAPTCYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL4091894 0.74 HSD17B1 (1.00) HSD17B1MAPTCYP3A4CYP1A2CYP2C9

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-20090186900-A1 COMPOUND STERIX LIMITED (GB) 2009-07-23 US disclosed
EP-2013176-A2 DIARYL COMPOUNDS AS NON-STEROIDAL INHIBITORS OF 17-BETA HYDROXYSTEROID DEHYDROGENASE AND/OR STEROID SULPHATASE FOR THE TREATMENT OF OESTROGEN-RELATED DISEASES SUCH AS HORMONE DEPENDENT BREAST CANCER Sterix Limited (GB) 2009-01-14 EP disclosed
WO-2007096647-A2 DIARYL COMPOUNDS AS NON-STEROIDAL INHIBITORS OF 17-BETA HYDROXYSTEROID DEHYDROGENASE AND/OR STEROID SULPHATASE FOR THE TREATMENT OF OESTROGEN-RELATED DISEASES SUCH AS HORMONE DEPENDENT BREAST CANCER STERIX LIMITED (GB) 2007-08-30 WO 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-20090186900-A1 COMPOUND HSD17B2, HSD17B11, CYP17A1 HSD17B1 4/4885MAPT 929/4885MAPK1 3220/4885

“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.