SCHEMBL4085506

SCHEMBL4085506

Cc1cc(F)ccc1C(=O)CCC(=O)NCc1cccnc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.57
MAPT P10636 1/20 0.55
HSD17B1 P14061 1/20 0.54
ALDH1A1 P00352 2/20 0.54
KMT2A Q03164 2/20 0.53
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 1/20 0.53
PKM P14618 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
NOTUM Q6P988 1/20 0.52
NAMPT P43490 2/20 0.52
LMNA P02545 1/20 0.50
FAAH O00519 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL4085750 0.87 MAPT (0.59) GAAMAPTHSD17B1ALDH1A1KMT2A
SCHEMBL4093081 0.82 HSD17B1 (0.59) GAAMAPTHSD17B1ALDH1A1KMT2A
SCHEMBL4092146 0.82 HSD17B1 (0.59) GAAMAPTHSD17B1ALDH1A1KMT2A
SCHEMBL4091199 0.81 HSD17B1 (0.80) MAPTHSD17B1ALDH1A1CYP3A4CYP1A2
SCHEMBL16610098 0.79 MAPT (0.84) GAAMAPTALDH1A1KMT2ACYP3A4
SCHEMBL4100708 0.78 HSD17B1 (0.62) MAPTHSD17B1ALDH1A1KDM4EPKM
SCHEMBL13271684 0.76 CYP3A4 (0.80) GAAMAPTALDH1A1KMT2ACYP3A4
SCHEMBL4096345 0.75 HSD17B1 (0.62) GAAMAPTHSD17B1ALDH1A1KMT2A
SCHEMBL4092600 0.74 HSD17B1 (0.72) MAPTHSD17B1KMT2ACYP3A4CYP1A2
SCHEMBL16353842 0.74 CYP3A4 (0.76) GAAMAPTKMT2ACYP3A4CYP1A2

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 GAA 316/4885MAPT 929/4885HSD17B1 4/4885

“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.