SCHEMBL2619352

SCHEMBL2619352

CCCc1ccc(NC(=O)CC)nc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.55
SMN1; SMN2 Q16637 7/20 0.51
TSHR P16473 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
RAB9A P51151 8/20 0.50
NPC1 O15118 5/20 0.50
MAPK1 P28482 2/20 0.50
TP53 P04637 2/20 0.50
MAPT P10636 4/20 0.49
GAA P10253 1/20 0.49
GLA P06280 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
DEGS1 O15121 1/20 0.48
MEN1 O00255 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 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
SCHEMBL10141374 0.91 MAPT (0.55) HSD17B10SMN1; SMN2TSHRNPSR1RAB9A
SCHEMBL4550164 0.87 PTK2 (0.57) SMN1; SMN2TSHRRAB9ANPC1MAPK1
SCHEMBL2619350 0.87 HSD17B10 (0.57) HSD17B10SMN1; SMN2TSHRNPSR1RAB9A
SCHEMBL12462388 0.83 HSD17B10 (0.60) HSD17B10SMN1; SMN2TSHRNPSR1RAB9A
SCHEMBL21766750 0.81 HSD17B10 (0.52) HSD17B10SMN1; SMN2TSHRNPSR1RAB9A
SCHEMBL1723416 0.78 RAB9A (0.68) HSD17B10SMN1; SMN2RAB9ANPC1MAPK1
SCHEMBL19150980 0.78 DEGS1 (0.68) HSD17B10SMN1; SMN2TSHRNPSR1RAB9A
SCHEMBL8792557 0.78 HSD17B10 (0.76) HSD17B10SMN1; SMN2TSHRNPSR1RAB9A
SCHEMBL22540419 0.77 MAPT (0.59) HSD17B10SMN1; SMN2NPSR1RAB9ANPC1
SCHEMBL22557436 0.77 HSD17B10 (0.54) HSD17B10SMN1; SMN2TSHRNPSR1RAB9A

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-20120165316-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-06-28 US disclosed
US-20120094997-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-19 US disclosed
US-20120053201-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-03-01 US disclosed
US-20110251184-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-10-13 US disclosed
US-20110213003-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 (5 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-20120094997-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC5 HSD17B10 401/4885SMN1; SMN2 848/4885TSHR 972/4885
US-20120165316-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC5, HDAC1 HSD17B10 966/4885SMN1; SMN2 772/4885TSHR 3490/4885
US-20120053201-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 HSD17B10 420/4885SMN1; SMN2 731/4885TSHR 1836/4885
US-20110251184-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 HSD17B10 615/4885SMN1; SMN2 401/4885TSHR 2150/4885
US-20110213003-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC3 HSD17B10 344/4885SMN1; SMN2 852/4885TSHR 2261/4885

“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.