SCHEMBL6180969

SCHEMBL6180969

CC(C)CC(NC(=O)c1ccc(NC(=O)NCc2cccnc2)cc1)C(=O)N(C)C#N

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.53
NAMPT P43490 11/20 0.53
HTT P42858 2/20 0.52
LMNA P02545 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
POLB P06746 1/20 0.51
HDAC1 Q13547 1/20 0.51
ALDH1A1 P00352 1/20 0.50
MEN1 O00255 2/20 0.49

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
SCHEMBL6183721 0.91 TSHR (0.58) KMT2ANAMPTLMNA
SCHEMBL7044208 0.89 NAMPT (0.63) KMT2ANAMPT
SCHEMBL6183322 0.88 FPR2 (0.53) KMT2ANAMPTMEN1
SCHEMBL6180962 0.86 CTSL (0.59) KMT2ANAMPTHTTLMNANPSR1
SCHEMBL6182530 0.83 NPC1 (0.53) KMT2AHTTLMNAMEN1
SCHEMBL6183150 0.83 CHRNA7 (0.54) KMT2AHTTLMNANPSR1ALDH1A1
SCHEMBL6182114 0.83 CTSB (0.58)
SCHEMBL6180825 0.81 CTSB (0.45) NAMPT
SCHEMBL6184556 0.81 CTSB (0.56) KMT2ANAMPTHTTMEN1
SCHEMBL6184538 0.81 RAB9A (0.50) KMT2AHTTPOLBALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1161415-B1 N-CYANOMETHYLAMIDES AS PROTEASE INHIBITORS AXYS PHARM INC (US) 2005-07-13 EP disclosed
US-6593327-B2 N-cyanomethyl amides which are cysteine protease inhibitors; treating osteoporosis; mixtures with bisphosphonates AXYS PHARMACEUTICALS, INC. 2003-07-15 US disclosed
US-20030119788-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-06-26 US disclosed
US-6476026-B1 Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. 2002-11-05 US disclosed
US-20020086996-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2002-07-04 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 (2 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-20020086996-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 KMT2A 2983/4885NAMPT 446/4885HTT 3328/4885
US-20030119788-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 KMT2A 2983/4885NAMPT 446/4885HTT 3328/4885

“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.