SCHEMBL10246949

SCHEMBL10246949

Cc1onc(-c2ccccc2Cl)c1C(=O)NC1CCCc2cc(C(=O)NO)ccc21

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.58
RECQL P46063 1/20 0.55
ALDH1A1 P00352 3/20 0.51
TSHR P16473 2/20 0.51
TAS1R3 Q7RTX0 2/20 0.50
TAS1R1 Q7RTX1 2/20 0.50
TAS1R2 Q8TE23 2/20 0.50
LMNA P02545 2/20 0.48
USP2 O75604 1/20 0.48
MEN1 O00255 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
CYP2C19 P33261 1/20 0.47
GPBAR1 Q8TDU6 1/20 0.47
ACHE P22303 1/20 0.47
HTT P42858 1/20 0.47
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
EPAS1 Q99814 2/20 0.46

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
SCHEMBL10247155 0.73 LMNA (0.77) KMT2AALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL10246997 0.73 LMNA (0.62) KMT2AALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL10249684 0.71 HTT (0.62) KMT2AALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL10247080 0.71 TAS1R3 (0.47) KMT2AALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL10246986 0.71 TAS1R3 (0.47) KMT2AALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL10246948 0.70 PRSS12 (0.65) KMT2AALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL8362479 0.70 GPBAR1 (0.60) KMT2AALDH1A1LMNAUSP2MEN1
SCHEMBL10247010 0.69 HDAC3 (0.54) KMT2AALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL10246865 0.69 LMNA (0.54) KMT2AALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL5533828 0.69 LMNA (0.74) KMT2AALDH1A1TSHRLMNAUSP2

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-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
WO-2012012322-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-26 WO disclosed
US-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACUTICALS, INC. (US) 2012-01-19 US disclosed
US-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACUTICALS, 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-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 KMT2A 37/4885RECQL 1838/4885ALDH1A1 676/4885
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 KMT2A 62/4885RECQL 1334/4885ALDH1A1 202/4885

“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.