SCHEMBL9891807

SCHEMBL9891807

CC(C)C(=O)Nc1cc(C(C)(C)C)on1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.60
RAB9A P51151 7/20 0.56
NPC1 O15118 7/20 0.56
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
MAPK14 Q16539 3/20 0.55
HTT P42858 4/20 0.55
MAPT P10636 3/20 0.55
NPSR1 Q6W5P4 1/20 0.55
POLB P06746 3/20 0.54
HPGD P15428 1/20 0.54
LMNA P02545 1/20 0.54
ATM Q13315 1/20 0.53
SMN1; SMN2 Q16637 4/20 0.52
PKM P14618 1/20 0.52
TSHR P16473 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
KDM4E B2RXH2 1/20 0.51
EPHX2 P34913 2/20 0.50

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
SCHEMBL5370226 0.87 EGFR (0.57) EGFRRAB9ANPC1KMT2AMEN1
SCHEMBL8314670 0.87 EGFR (0.57) EGFRRAB9ANPC1KMT2AMEN1
SCHEMBL9891820 0.86 EGFR (0.49) EGFRRAB9ANPC1KMT2AMEN1
SCHEMBL13413838 0.86 EGFR (0.46) EGFRRAB9ANPC1KMT2AMEN1
SCHEMBL21479384 0.84 EGFR (0.44) EGFRRAB9ANPC1KMT2AMEN1
SCHEMBL1619382 0.83 EGFR (0.54) EGFRRAB9ANPC1KMT2AMEN1
SCHEMBL2951112 0.82 RAB9A (0.77) EGFRRAB9ANPC1KMT2AMEN1
SCHEMBL9891816 0.82 EGFR (0.46) EGFRRAB9ANPC1KMT2AMEN1
SCHEMBL11394254 0.82 EGFR (0.56) EGFRRAB9ANPC1KMT2AMEN1
SCHEMBL1621838 0.81 EGFR (0.51) EGFRRAB9ANPC1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4293328-A N-(5-t-Butyl-3-isoxazolyl)alkanamide derivatives and herbicidal compositions containing them SHIONOGI & CO., LTD. (JP) 1981-10-06 US claimed
US-11384076-B2 Synthesis, pharmacology and use of new and selective FMS-like tyrosine kinase 3 (FLT3) FLT3 inhibitors UNIVERSITÄT REGENSBURG (DE) 2022-07-12 US disclosed
US-10870647-B2 Imidazopyridine derivative, method for preparing same, and pharmaceutical composition containing same as active ingredient for preventing or treating cancer DAEGU-GYEONGBUK MEDICAL INNOVATION FOUNDATION (KR) 2020-12-22 US disclosed
US-20200190075-A1 SYNTHESIS, PHARMACOLOGY AND USE OF NEW AND SELECTIVE FMS-LIKE TYROSINE KINASE 3 (FLT3) FLT3 INHIBITORS UNIVERSITÄT REGENSBURG (DE) 2020-06-18 US disclosed
US-20190315738-A1 NOVEL IMIDAZOPYRIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR PREVENTING OR TREATING CANCER DAEGU-GYEONGBUK MEDICAL INNOVATION FOUNDATION (KR) 2019-10-17 US disclosed
US-8629157-B2 Pyrrolidine compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 US disclosed
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 US disclosed
US-4293328-A N-(5-t-Butyl-3-isoxazolyl)alkanamide derivatives and herbicidal compositions containing them SHIONOGI & CO., LTD. (JP) 1981-10-06 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-11384076-B2 Synthesis, pharmacology and use of new and selective FMS-like tyrosine kinase 3 (FLT3) FLT3 inhibitors FLT3, CSF3R, ABL1 EGFR 51/4885RAB9A 4286/4885NPC1 3493/4885
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 EGFR 970/4885RAB9A 2299/4885NPC1 1904/4885
US-20190315738-A1 NOVEL IMIDAZOPYRIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR PREVENTING OR TREATING CANCER FYN, SRC, LCK EGFR 125/4885RAB9A 3379/4885NPC1 4146/4885
US-20200190075-A1 SYNTHESIS, PHARMACOLOGY AND USE OF NEW AND SELECTIVE FMS-LIKE TYROSINE KINASE 3 (FLT3) FLT3 INHIBITORS FLT3, CSF3R, ABL1 EGFR 51/4885RAB9A 4286/4885NPC1 3493/4885
US-10870647-B2 Imidazopyridine derivative, method for preparing same, and pharmaceutical composition containing same as active ingredient for preventing or treating cancer FYN, SRC, LCK EGFR 132/4885RAB9A 3553/4885NPC1 4250/4885

“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.