SCHEMBL5889539

SCHEMBL5889539

CN(C)CCNC(=O)c1cc(NC(=O)c2ccc3[nH]c(C(=O)Nc4cc(C(=O)NCCN(C)C)n(C)c4)cc3c2)cn1C

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRAS P01112 8/20 0.60
ESR1 P03372 8/20 0.60
ESR2 Q92731 8/20 0.60
HRH4 Q9H3N8 1/20 0.54
HRH3 Q9Y5N1 1/20 0.54
HTR2C P28335 1/20 0.52
HDAC1 Q13547 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
PLD2 O14939 1/20 0.42
PLD1 Q13393 1/20 0.42
SYK P43405 1/20 0.42
ROCK2 O75116 1/20 0.41
NAMPT P43490 1/20 0.41
GHSR Q92847 2/20 0.41
OPRM1 P35372 1/20 0.41
OPRK1 P41145 1/20 0.41
NHERF1 O14745 1/20 0.41
PARP1 P09874 1/20 0.41

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
SCHEMBL5889571 0.88 HRAS (0.59) HRASESR1ESR2HDAC2PLD2
SCHEMBL6779947 0.85 HRAS (0.52) HRASESR1ESR2HRH4HRH3
SCHEMBL5889566 0.85 HRAS (0.53) HRASESR1ESR2HRH4HRH3
SCHEMBL5889545 0.83 HRAS (0.53) HRASESR1ESR2HDAC2HDAC8
SCHEMBL5889560 0.83 HRAS (0.54) HRASESR1ESR2HDAC2PLD2
SCHEMBL5889831 0.82 NHERF1 (0.53) HRASESR1ESR2HRH3PLD2
SCHEMBL5889578 0.82 HTR2C (0.61) HRASESR1ESR2HRH4HRH3
SCHEMBL5889480 0.81 KDM4E (0.49) HRASESR1ESR2PLD2PLD1
SCHEMBL5889693 0.79 HRH4 (0.56) HRASESR1ESR2HRH4HRH3
SCHEMBL15223792 0.77 HRH4 (0.65) HRH4HRH3HTR2CSYKGHSR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7064218-B2 Aromatic compounds and poly(oxyalkylene) containing aromatic compounds possessing antibacterial, antifungal or antitumor activity GENELABS TECHNOLOGIES, INC. (US) 2006-06-20 US disclosed
US-6906103-B2 Compounds possessing antibacterial, antifungal or antitumor activity GENELABS TECHNOLOGIES, INC. (US) 2005-06-14 US disclosed
US-6849713-B2 Compounds possessing antibacterial, antifungal or antitumor activity GENELABS TECHNOLOGIES, INC. (US) 2005-02-01 US disclosed
US-20030212113-A1 Novel aromatic compounds and poly(oxyalkylene) containing aromatic compounds possessing antibacterial, antifungal or antitumor activity GLAXOSMITHKLINE LLC 2003-11-13 US disclosed
WO-2003057212-A1 POLYAMIDE DERIVATIVES POSSESSING ANTIBACTERIAL, ANTIFUNGAL OR ANTITUMOR ACTIVITY GENELABS TECHNOLOGIES, INC. (US) 2003-07-17 WO disclosed
US-20030119749-A1 Novel compounds possessing antibacterial, antifungal or antitumor activity SMITHKLINE BEECHAM CORPORATION 2003-06-26 US disclosed
EP-1294713-A2 COMPOUNDS POSSESSING ANTIBACTERIAL, ANTIFUNGAL OR ANTITUMOR ACTIVITY GENELABS TECHNOLOGIES, INC. (US) 2003-03-26 EP disclosed
US-20020037856-A1 Novel compounds possessing antibacterial, antifungal or antitumor activity GENELABS TECHNOLOGIES, INC. 2002-03-28 US disclosed
WO-2002000650-A2 NOVEL COMPOUNDS POSSESSING ANTIBACTERIAL, ANTIFUNGAL OR ANTITUMOR ACTIVITY GENELABS TECHNOLOGIES, INC. (US) 2002-01-03 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 (3 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-20030119749-A1 Novel compounds possessing antibacterial, antifungal or antitumor activity CYP51A1, MCL1, ERG28 HRAS 402/4885ESR1 4097/4885ESR2 3377/4885
US-20020037856-A1 Novel compounds possessing antibacterial, antifungal or antitumor activity CYP51A1, MCL1, ERG28 HRAS 402/4885ESR1 4097/4885ESR2 3377/4885
US-20030212113-A1 Novel aromatic compounds and poly(oxyalkylene) containing aromatic compounds possessing antibacterial, antifungal or antitumor activity TYR, CYP51A1, ODC1 HRAS 1040/4885ESR1 4541/4885ESR2 4085/4885

“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.