SCHEMBL2406409

SCHEMBL2406409

C[C@@H](NC(=O)Nc1ccc(C#N)cc1)c1ccc(C(=O)NO)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.49
ROCK2 O75116 3/20 0.48
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
MLYCD O95822 1/20 0.46
ACACB O00763 1/20 0.46
LMNA P02545 3/20 0.46
MAPT P10636 3/20 0.46
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.46
NLRP3 Q96P20 1/20 0.46
SAE1 Q9UBE0 1/20 0.45
UBA2 Q9UBT2 1/20 0.45
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45
PKM P14618 1/20 0.45
MAPK1 P28482 1/20 0.45
RAB9A P51151 1/20 0.45
IL18 Q14116 1/20 0.45
NAMPT P43490 3/20 0.45

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
SCHEMBL2413556 1.00 HSD17B10 (0.49) HSD17B10ROCK2MEN1KMT2AMLYCD
SCHEMBL2405225 0.88 HDAC1 (0.52) ROCK2MEN1KMT2AMLYCDLMNA
SCHEMBL2412300 0.84 HSD17B10 (0.54) HSD17B10MEN1KMT2AMAPTTSHR
SCHEMBL2408891 0.83 KMT2A (0.56) HSD17B10MEN1KMT2ALMNAMAPT
SCHEMBL14433543 0.83 HSD17B10 (0.72) HSD17B10ROCK2MEN1KMT2AACACB
SCHEMBL2409025 0.82 HDAC6 (0.65) HSD17B10MEN1KMT2AMAPTHTT
SCHEMBL2413461 0.81 ALDH1A1 (0.59) HSD17B10MEN1KMT2ALMNARAB9A
SCHEMBL2407256 0.81 HDAC3 (0.54) HSD17B10NAMPTHDAC8HDAC6HDAC3
SCHEMBL15482261 0.79 MLYCD (0.68) MEN1KMT2AMLYCDLMNAMAPT
SCHEMBL2406477 0.79 TSHR (0.53) HSD17B10KMT2AMAPTTSHRPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9382197-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-07-05 US disclosed
US-9382197-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-07-05 US disclosed
US-9382197-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-07-05 US disclosed
US-20140275093-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-09-18 US disclosed
US-20140275093-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-09-18 US disclosed
US-20140275093-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-09-18 US disclosed
WO-2011106632-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 WO disclosed
US-20110212969-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 US disclosed
US-20110212969-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 US disclosed
US-20110212969-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 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-20140275093-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC10, HDAC1 HSD17B10 86/4885ROCK2 360/4885MEN1 3689/4885
US-20110212969-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC10, HDAC1 HSD17B10 86/4885ROCK2 360/4885MEN1 3689/4885

“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.