SCHEMBL7790575

SCHEMBL7790575

CC1(C)CN(C(=O)Nc2ccc3c(c2)CCO3)Cc2cc(C(=O)NO)sc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
FAAH O00519 1/20 0.41
NAMPT P43490 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GPR142 Q7Z601 6/20 0.39
CYP2D6 P10635 1/20 0.39
MAPK14 Q16539 1/20 0.38
LMNA P02545 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
MAPT P10636 2/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37

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
SCHEMBL7799029 0.82 NPC1 (0.52) SMN1; SMN2NAMPTMEN1KMT2ALMNA
SCHEMBL12869062 0.80 HDAC6 (0.39) ALDH1A1SMN1; SMN2NAMPTHDAC6NPC1
SCHEMBL7796320 0.80 NAMPT (0.42) ALDH1A1SMN1; SMN2FAAHNAMPTMEN1
SCHEMBL7799965 0.79 NAMPT (0.52) NAMPT
SCHEMBL1174165 0.76 HPGD (0.46) ALDH1A1SMN1; SMN2KMT2ACYP2D6LMNA
SCHEMBL7796730 0.76 HDAC6 (0.46) ALDH1A1HDAC6
SCHEMBL7870443 0.75 HDAC6 (0.52) SMN1; SMN2NAMPTMAPK14HDAC6NPC1
SCHEMBL7801296 0.75 HDAC6 (0.41) ALDH1A1NAMPTHDAC6MAPTNPC1
SCHEMBL15402201 0.73 PIK3CA (0.33) MAPK14
SCHEMBL7789527 0.71 HDAC1 (0.47) SMN1; SMN2NAMPTMEN1KMT2AHDAC6

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-20140329836-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-11-06 US disclosed
US-20140329836-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-11-06 US disclosed
US-20110046157-A1 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-24 US disclosed
US-20110046157-A1 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-24 US disclosed
WO-2010151317-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-12-29 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 (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-20140329836-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC5, HDAC1 ALDH1A1 1220/4885SMN1; SMN2 500/4885FAAH 1536/4885
US-20110046157-A1 Substituted hydroxamic acids and uses thereof HDAC6, HDAC5, HDAC1 ALDH1A1 1220/4885SMN1; SMN2 500/4885FAAH 1536/4885

“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.