SCHEMBL21552247

SCHEMBL21552247

O=C(OCc1ccccc1)N1CC(CI)C1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.57
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
CYP2C19 P33261 1/20 0.55
GRIN2B Q13224 6/20 0.49
HTR2C P28335 1/20 0.49
CYP2D6 P10635 3/20 0.48
CYP2C9 P11712 3/20 0.48
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
F13A1 P00488 1/20 0.46
TGM2 P21980 1/20 0.46
TGM1 P22735 1/20 0.46
CYP3A4 P08684 2/20 0.46
P2RX4 Q99571 1/20 0.46
ALDH1A1 P00352 2/20 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
SCHEMBL12683588 0.89 SMN1; SMN2 (0.63) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL2499417 0.86 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL21681858 0.86 SMN1; SMN2 (0.59) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL3154275 0.86 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL2329940 0.85 MEN1 (0.59) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL4203844 0.85 SMN1; SMN2 (0.70) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL21559813 0.85 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9AMEN1KMT2A
Ammonia Solution, Strong SCHEMBL21723132 0.85 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL895729 0.85 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL9929268 0.84 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9AMEN1KMT2A

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-11932633-B2 KRas G12C inhibitors Mirati Therapeutics, Inc. (US) 2024-03-19 US disclosed
US-20210380570-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. 2021-12-09 US disclosed
US-20210380570-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. 2021-12-09 US disclosed
EP-3790551-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2021-03-17 EP disclosed
WO-2019217307-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2019-11-14 WO disclosed
WO-2019217307-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2019-11-14 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-20210380570-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS SMN1; SMN2 4385/4885NPC1 1409/4885RAB9A 157/4885
US-11932633-B2 KRas G12C inhibitors KRAS, NRAS, HRAS SMN1; SMN2 4385/4885NPC1 1409/4885RAB9A 157/4885

“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.