SCHEMBL30111084

SCHEMBL30111084

CC(C)OCCn1cnc2ccccc2c1=O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.66
▸ MEN1 O00255 4/20 0.66
▸ HTT P42858 4/20 0.66
▸ SMN1; SMN2 Q16637 3/20 0.66
▸ MAPT P10636 1/20 0.66
▸ LMNA P02545 4/20 0.61
▸ GAA P10253 2/20 0.61
▸ RAB9A P51151 3/20 0.60
▸ POLB P06746 2/20 0.58
▸ NPC1 O15118 2/20 0.57
▸ MAPK1 P28482 2/20 0.57
▸ CYP2C9 P11712 3/20 0.56
▸ CYP2C19 P33261 3/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ HPGD P15428 1/20 0.56
▸ CYP1A2 P05177 2/20 0.55
▸ CYP2D6 P10635 2/20 0.55
▸ CYP3A4 P08684 1/20 0.54
▸ NPSR1 Q6W5P4 2/20 0.54
▸ ATM Q13315 1/20 0.54

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
SCHEMBL24166094 0.82 TNF (0.57) KMT2AMEN1HTTSMN1; SMN2MAPT
SCHEMBL30656791 0.82 TNF (0.57) KMT2AMEN1HTTSMN1; SMN2MAPT
SCHEMBL1023806 0.80 SMN1; SMN2 (0.67) KMT2AMEN1HTTSMN1; SMN2MAPT
SCHEMBL19049515 0.79 LMNA (0.61) KMT2AMEN1HTTSMN1; SMN2MAPT
SCHEMBL26758105 0.78 L3MBTL1 (0.60) KMT2AMEN1HTTSMN1; SMN2MAPT
SCHEMBL12767974 0.78 SMN1; SMN2 (0.58) KMT2AMEN1HTTSMN1; SMN2MAPT
SCHEMBL9545542 0.77 SMN1; SMN2 (0.70) KMT2AMEN1HTTSMN1; SMN2MAPT
SCHEMBL28069319 0.77 CYP1A2 (0.64) KMT2AMEN1HTTSMN1; SMN2MAPT
SCHEMBL30089495 0.76 SMN1; SMN2 (0.60) KMT2AMEN1HTTSMN1; SMN2MAPT
SCHEMBL28866778 0.76 CYP2C9 (0.59) KMT2AMEN1HTTSMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240189306-A1 SHP2 INHIBITOR AND USE THEREOF KANAPH THERAPEUTICS INC. (KR) 2024-06-13 — — US disclosed
WO-2023282702-A1 SHP2 INHIBITOR AND USE THEREOF 주식회사 카나프테라퓨틱스 2023-01-12 — — 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 (1 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-20240189306-A1 SHP2 INHIBITOR AND USE THEREOF PTPN1, PTPN5, PTPN2 KMT2A 1019/4885MEN1 3025/4885HTT 475/4885

“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.

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