SCHEMBL13537403

SCHEMBL13537403

O=C[C@H](CSc1ccccc1)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
MTNR1A P48039 3/20 0.36
MTNR1B P49286 3/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPK1 P28482 1/20 0.35
ACKR3 P25106 1/20 0.35
FFAR1 O14842 1/20 0.34
G6PC1 P35575 1/20 0.34
TSHR P16473 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
HPGD P15428 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL475432 0.78 EPHX1 (0.44) MAOAKMT2AMEN1ALDH1A1TSHR
SCHEMBL475431 0.78 EPHX1 (0.44) MAOAKMT2AMEN1ALDH1A1TSHR
SCHEMBL841592 0.76 TSHR (0.42) KMT2AMEN1ALDH1A1TSHR
SCHEMBL841593 0.76 TSHR (0.42) KMT2AMEN1ALDH1A1TSHR
SCHEMBL8293935 0.75 SIGMAR1 (0.41) KMT2AMEN1ALDH1A1TSHRCYP1A2
SCHEMBL8378842 0.75 SIGMAR1 (0.41) KMT2AMEN1ALDH1A1TSHRCYP1A2
SCHEMBL13496943 0.75 SIGMAR1 (0.41) KMT2AMEN1ALDH1A1TSHRCYP1A2
SCHEMBL841318 0.73 TSHR (0.39) KMT2AMEN1ALDH1A1TSHRCYP1A2
SCHEMBL18085361 0.73 TSHR (0.39) KMT2AMEN1ALDH1A1TSHRCYP1A2
SCHEMBL841317 0.73 TSHR (0.39) KMT2AMEN1ALDH1A1TSHRCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7649015-B2 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds GILEAD SCIENCES, INC. (US) 2010-01-19 US disclosed
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds GILEAD SCIENCES, INC. 2007-01-11 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-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds PPA1, PNP, PPME1 MAOA 2700/4885MAOB 3036/4885MTNR1A 4678/4885

“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.