SCHEMBL15078643

SCHEMBL15078643

CC(C)(C)OC(=O)Nc1cc(CCN2C(=O)c3ccccc3C2=O)cc(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.44
DRD2 P14416 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
RORC P51449 1/20 0.41
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
CCR2 P41597 1/20 0.39
TACR1 P25103 1/20 0.38
TOP2A P11388 1/20 0.38
TOP2B Q02880 1/20 0.38
CASP3 P42574 1/20 0.38

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
SCHEMBL15077305 0.86 KMT2A (0.55) DRD2MEN1KMT2ARORCALDH1A1
SCHEMBL12475302 0.85 KMT2A (0.46) MEN1KMT2AALDH1A1HPGDTACR1
SCHEMBL15078641 0.78 RXFP1 (0.44) RXFP1ALDH1A1LMNAMAPTCCR2
SCHEMBL788007 0.76 SLC13A3 (0.43) RXFP1ALDH1A1LMNAMAPTCCR2
SCHEMBL27969948 0.75 SLC13A3 (0.46) RXFP1RORCALDH1A1LMNAMAPT
SCHEMBL27118826 0.75 RXFP1 (0.46) RXFP1ALDH1A1LMNAMAPTCCR2
SCHEMBL8574413 0.74 MAPT (0.57) RXFP1ALDH1A1LMNAMAPTTACR1
SCHEMBL21997347 0.74 ALDH1A1 (0.55) ALDH1A1LMNACASP3
SCHEMBL21996778 0.74 POLB (0.51) MEN1KMT2AALDH1A1MAPTCASP3
SCHEMBL14793217 0.73 RXFP1 (0.44) RXFP1RORCALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130165440-A1 JAK1 Inhibitors EXELIXIS, INC. (US) 2013-06-27 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-20130165440-A1 JAK1 Inhibitors JAK1, JAK2, JAK3 RXFP1 147/4885DRD2 1480/4885MEN1 1681/4885

“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.