SCHEMBL14689705

SCHEMBL14689705

CC(C)n1cc(C=O)c2cccc(Cl)c21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.40
MEN1 O00255 7/20 0.40
KMT2A Q03164 7/20 0.40
HTT P42858 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
IMPDH2 P12268 1/20 0.40
TDP1 Q9NUW8 1/20 0.37
PARP1 P09874 1/20 0.37
LMNA P02545 3/20 0.36
GAA P10253 2/20 0.36
PIM1 P11309 4/20 0.36
PIM3 Q86V86 4/20 0.36
PIM2 Q9P1W9 1/20 0.36
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
CACNA1B Q00975 1/20 0.35
APBA1 Q02410 1/20 0.35
CYP1A2 P05177 1/20 0.33
CYP2A6 P11509 1/20 0.33

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
SCHEMBL2599821 0.82 TRIM24 (0.42) ALDH1A1MEN1KMT2ASMN1; SMN2IMPDH2
SCHEMBL2599810 0.81 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AHTTSMN1; SMN2
SCHEMBL838056 0.80 ALDH1A1 (0.54) ALDH1A1MEN1KMT2AHTTSMN1; SMN2
SCHEMBL12182595 0.77 TDP1 (0.34) ALDH1A1SMN1; SMN2TDP1
SCHEMBL2599736 0.77 ERN1 (0.40) ALDH1A1MEN1KMT2ASMN1; SMN2IMPDH2
SCHEMBL2599729 0.77 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AHTTSMN1; SMN2
SCHEMBL2599761 0.77 ALDH1A1 (0.33) ALDH1A1MEN1KMT2ASMN1; SMN2TDP1
SCHEMBL31357864 0.77 CYP1A2 (0.35) ALDH1A1LMNACYP1A2CYP2A6
SCHEMBL22955073 0.76 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AHTTSMN1; SMN2
SCHEMBL2599758 0.76 PARP1 (0.36) ALDH1A1MEN1KMT2AIMPDH2PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130040978-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS MERCK SHARP & DOHME CORP 2013-02-14 US disclosed
US-20130040978-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS MERCK SHARP & DOHME CORP 2013-02-14 US disclosed
US-20130040978-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS MERCK SHARP & DOHME CORP 2013-02-14 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 (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-20130040978-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS SSTR5, SSTR2, SSTR1 ALDH1A1 1103/4885MEN1 1411/4885KMT2A 3652/4885

“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.