SCHEMBL17149772

SCHEMBL17149772

Cc1c(C(=O)N[C@H](C)c2ccccc2)[nH]c2ccc(F)cc12

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.56
NPC1 O15118 1/20 0.53
KDM4E B2RXH2 2/20 0.51
KMT2A Q03164 3/20 0.50
MEN1 O00255 1/20 0.50
RCE1 Q9Y256 1/20 0.50
RXFP1 Q9HBX9 1/20 0.49
EGFR P00533 1/20 0.48
IMPDH2 P12268 2/20 0.48
CNR1 P21554 2/20 0.47
MTOR P42345 1/20 0.45
MAP2 P11137 1/20 0.45
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL17149687 1.00 GAA (0.56) GAANPC1KDM4EKMT2AMEN1
SCHEMBL4666589 0.78 PPARG (0.59) CNR1
SCHEMBL4666592 0.78 PPARG (0.59) CNR1
SCHEMBL2730323 0.77 ALDH1A1 (0.59) KDM4EKMT2AMEN1EGFRCNR1
SCHEMBL24196766 0.77 CNR1 (0.57) GAAKDM4EKMT2AMEN1EGFR
SCHEMBL20794365 0.76 EGFR (0.43) KDM4EKMT2AMEN1RCE1RXFP1
SCHEMBL17149882 0.76 PYGL (0.60) GAANPC1KDM4EKMT2AMEN1
SCHEMBL17149666 0.76 PYGL (0.60) GAANPC1KDM4EKMT2AMEN1
SCHEMBL17149890 0.76 PYGL (0.60) GAANPC1KDM4EKMT2AMEN1
SCHEMBL20794451 0.76 BRD4 (0.53) GAAKDM4EKMT2AMEN1RCE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10858319-B2 Indole derivatives for use in medicine IOMET PHARMA LTD. (GB) 2020-12-08 US disclosed
US-20190084933-A1 INDOLE DERIVATIVES FOR USE IN MEDICINE IOMET PHARMA LTD. (GB) 2019-03-21 US disclosed
US-10167257-B2 Indole derivatives for use in medicine IOMET PHARMA LTD. (GB) 2019-01-01 US disclosed
US-20170107178-A1 INDOLE DERIVATIVES FOR USE IN MEDICINE IOMET PHARMA LTD. (GB) 2017-04-20 US disclosed
US-20170107178-A1 INDOLE DERIVATIVES FOR USE IN MEDICINE IOMET PHARMA LTD. (GB) 2017-04-20 US disclosed
WO-2015150097-A1 INDOLE DERIVATIVES FOR USE IN MEDICINE IOMET PHARMA LTD (GB) 2015-10-08 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 (4 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-10858319-B2 Indole derivatives for use in medicine IDO1, IDO2, TDO2 GAA 2163/4885NPC1 3828/4885KDM4E 556/4885
US-10167257-B2 Indole derivatives for use in medicine IDO1, IDO2, TDO2 GAA 2130/4885NPC1 3840/4885KDM4E 570/4885
US-20170107178-A1 INDOLE DERIVATIVES FOR USE IN MEDICINE IDO1, IDO2, TDO2 GAA 2130/4885NPC1 3840/4885KDM4E 570/4885
US-20190084933-A1 INDOLE DERIVATIVES FOR USE IN MEDICINE IDO1, IDO2, TDO2 GAA 2208/4885NPC1 3773/4885KDM4E 537/4885

“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.