SCHEMBL1019924

SCHEMBL1019924

O=C(Cl)[C@@H]1C[C@H]1c1ccncc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
NAMPT P43490 2/20 0.53
GAA P10253 2/20 0.53
LMNA P02545 1/20 0.53
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HDAC4 P56524 1/20 0.42
SLC9A1 P19634 2/20 0.40
MAPT P10636 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ROCK2 O75116 2/20 0.40
FFAR1 O14842 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
GPR88 Q9GZN0 1/20 0.38
ITK Q08881 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL12765360 1.00 ALDH1A1 (0.53) ALDH1A1NAMPTGAALMNAHTT
SCHEMBL1018424 1.00 ALDH1A1 (0.53) ALDH1A1NAMPTGAALMNAHTT
SCHEMBL1017425 0.84 ALDH1A1 (0.57) ALDH1A1NAMPTGAALMNAHTT
SCHEMBL1017427 0.84 ALDH1A1 (0.57) ALDH1A1NAMPTGAALMNAHTT
SCHEMBL1019296 0.84 ALDH1A1 (0.57) ALDH1A1NAMPTGAALMNAHTT
SCHEMBL15219834 0.82 ALDH1A1 (0.51) ALDH1A1NAMPTGAALMNAHTT
SCHEMBL30927243 0.82 ALDH1A1 (0.51) ALDH1A1NAMPTGAALMNAHTT
SCHEMBL8183655 0.79 HDAC4 (0.63) ALDH1A1NAMPTGAALMNAHTT
SCHEMBL452300 0.79 HDAC4 (0.63) ALDH1A1NAMPTGAALMNAHTT
SCHEMBL12431140 0.79 HDAC4 (0.63) ALDH1A1NAMPTGAALMNAHTT

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-8921358-B2 Apoptosis signal-regulating kinase 1 inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-12-30 US disclosed
US-20130203731-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (US) 2013-08-08 US disclosed
US-8461163-B2 Substituted N-(pyrazolo[1,5-a]pyrimidin-5-yl)amides as inhibitors of apoptosis signal-regulating kinase 1 TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-11 US disclosed
US-20110077235-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-31 US disclosed
EP-2271646-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2011-01-12 EP disclosed
WO-2009123986-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-08 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-20130203731-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS BAX, BCL2, BAD ALDH1A1 2965/4885NAMPT 2208/4885GAA 2943/4885
US-20110077235-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS BAX, BCL2, BAD ALDH1A1 2573/4885NAMPT 2342/4885GAA 3010/4885

“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.