SCHEMBL346598

SCHEMBL346598

CC1(C(=O)Nc2ccc3c(c2)CC(C(=O)NO)CC3)CCNCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KHK P50053 1/20 0.40
MELK Q14680 1/20 0.39
GHSR Q92847 1/20 0.39
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
KMT2A Q03164 1/20 0.35
HDAC1 Q13547 1/20 0.35
RXFP1 Q9HBX9 2/20 0.35
HDAC8 Q9BY41 3/20 0.34
HPGD P15428 1/20 0.34
SLC2A1 P11166 1/20 0.34
RAF1 P04049 1/20 0.34
BRAF P15056 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TRPV1 Q8NER1 1/20 0.34

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
SCHEMBL345716 0.96 KHK (0.40) KHKMELKGHSRNPC1RAB9A
SCHEMBL346082 0.87 MMP3 (0.40) RAF1BRAF
SCHEMBL434259 0.85 F10 (0.39) KHKGHSRHDAC1
SCHEMBL438223 0.84 NPC1 (0.41) GHSRNPC1RAB9AKMT2ARXFP1
SCHEMBL436770 0.84 ULK1 (0.46) MELKGHSRNPC1RAB9AKMT2A
SCHEMBL346770 0.83 NPC1 (0.38) GHSRNPC1RAB9ARXFP1SMN1; SMN2
SCHEMBL435693 0.83 SSTR4 (0.33) GHSRRAF1BRAFSMN1; SMN2
SCHEMBL436766 0.83 NR1H2 (0.39) TP53SMN1; SMN2
SCHEMBL436765 0.83 ALDH1A1 (0.39) KMT2A
SCHEMBL346261 0.81 BRAF (0.49) RAF1BRAF

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
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
WO-2012012320-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENIUM PHARMACEUTICALS, INC. (US) 2012-01-26 WO disclosed
WO-2012012320-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENIUM PHARMACEUTICALS, INC. (US) 2012-01-26 WO disclosed
US-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-19 US disclosed
US-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-19 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-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 KHK 1988/4885MELK 3710/4885GHSR 1236/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 KHK 1166/4885MELK 4252/4885GHSR 2184/4885

“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.