SCHEMBL344637

SCHEMBL344637

CNC(=O)Nc1cccc(Oc2ccc3c(c2)CC(C(=O)NO)CC3)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRAF P15056 9/20 0.47
RAF1 P04049 8/20 0.47
NPC1 O15118 1/20 0.43
CASP3 P42574 1/20 0.43
RAB9A P51151 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
FAAH O00519 4/20 0.42
MCHR1 Q99705 1/20 0.42
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
KDR P35968 1/20 0.40

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
SCHEMBL10197674 0.90 RAF1 (0.47) BRAFRAF1NPC1RAB9AFAAH
SCHEMBL10198059 0.89 FAAH (0.47) BRAFRAF1NPC1CASP3RAB9A
SCHEMBL345816 0.89 FAAH (0.44) BRAFRAF1FAAHMTNR1AMTNR1B
SCHEMBL345624 0.89 MTNR1A (0.51) BRAFRAF1MTNR1AMTNR1BKDR
SCHEMBL10197717 0.86 MMP8 (0.47) BRAFRAF1FAAH
SCHEMBL459415 0.85 FAAH (0.43) BRAFRAF1FAAHMTNR1AMTNR1B
SCHEMBL10197645 0.82 FAAH (0.54) FAAH
SCHEMBL346082 0.82 MMP3 (0.40) BRAFRAF1FAAHMTNR1AMTNR1B
SCHEMBL459960 0.81 FAAH (0.48) FAAH
SCHEMBL10197649 0.81 ADRB3 (0.49) FAAH

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 6 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
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
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
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 BRAF 3601/4885RAF1 3360/4885NPC1 2892/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 BRAF 4293/4885RAF1 4055/4885NPC1 3030/4885

“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.