SCHEMBL17149705

SCHEMBL17149705

C[C@@H](NC(=O)c1cc2c([nH]1)CCCC2)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
RCE1 Q9Y256 1/20 0.51
CYP1A2 P05177 3/20 0.48
CYP2C19 P33261 2/20 0.48
CYP2D6 P10635 1/20 0.48
CYP3A4 P08684 2/20 0.47
HTT P42858 1/20 0.47
ALDH1A1 P00352 5/20 0.46
LMNA P02545 4/20 0.46
MAPK1 P28482 1/20 0.46
KDM4E B2RXH2 6/20 0.46
PLA2G7 Q13093 2/20 0.46
HPGD P15428 2/20 0.46
HSD17B10 Q99714 1/20 0.46
HRH4 Q9H3N8 1/20 0.45

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
SCHEMBL17149686 1.00 MEN1 (0.51) MEN1KMT2ARCE1CYP1A2CYP2C19
SCHEMBL24019697 0.84 HRH4 (0.52) MEN1KMT2ARCE1HTTALDH1A1
SCHEMBL25853661 0.78 HRH4 (0.47) MEN1KMT2ACYP1A2CYP2C19HTT
SCHEMBL13301509 0.74 KMT2A (0.54) MEN1KMT2ARCE1ALDH1A1LMNA
SCHEMBL21207724 0.74 HRH4 (0.48) MEN1KMT2ACYP2C19CYP2D6HTT
SCHEMBL6883379 0.74 MEN1 (0.64) MEN1KMT2ARCE1ALDH1A1LMNA
SCHEMBL19476075 0.74 MEN1 (0.64) MEN1KMT2ARCE1ALDH1A1LMNA
SCHEMBL17149629 0.74 MEN1 (0.64) MEN1KMT2ARCE1ALDH1A1LMNA
SCHEMBL17149912 0.72 MEN1 (0.52) MEN1KMT2ARCE1HTTALDH1A1
SCHEMBL13597940 0.72 KMT2A (0.61) MEN1KMT2AHTTALDH1A1LMNA

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 MEN1 3590/4885KMT2A 1638/4885RCE1 1934/4885
US-10167257-B2 Indole derivatives for use in medicine IDO1, IDO2, TDO2 MEN1 3708/4885KMT2A 1690/4885RCE1 1947/4885
US-20170107178-A1 INDOLE DERIVATIVES FOR USE IN MEDICINE IDO1, IDO2, TDO2 MEN1 3708/4885KMT2A 1690/4885RCE1 1947/4885
US-20190084933-A1 INDOLE DERIVATIVES FOR USE IN MEDICINE IDO1, IDO2, TDO2 MEN1 3774/4885KMT2A 1615/4885RCE1 1942/4885

“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.