SCHEMBL4728025

SCHEMBL4728025

COC(=O)c1c(C#N)ccc(OC)c1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
IMPDH2 P12268 2/20 0.42
KDM4E B2RXH2 2/20 0.42
IMPDH1 P20839 1/20 0.42
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
RAB9A P51151 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GAA P10253 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
GLA P06280 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
RXFP1 Q9HBX9 1/20 0.37
HPGD P15428 1/20 0.37
F11 P03951 1/20 0.37

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
SCHEMBL20944114 0.88 ALDH1A1 (0.49) ALDH1A1IMPDH2KDM4EIMPDH1USP2
SCHEMBL20046888 0.84 CA12 (0.39) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL17838501 0.81 CA1 (0.45) ALDH1A1KDM4ESMN1; SMN2RAB9AHSD17B10
SCHEMBL8178586 0.81 LMNA (0.40) ALDH1A1KDM4EUSP2SMN1; SMN2HSD17B10
Formic Acid SCHEMBL20549325 0.80 ALDH1A1 (0.42) ALDH1A1IMPDH2KDM4EIMPDH1USP2
SCHEMBL16850295 0.79 MAPK1 (0.38) ALDH1A1KDM4ESMN1; SMN2HSD17B10GAA
SCHEMBL23088281 0.78 MAPK1 (0.43) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL18006732 0.78 MEN1 (0.41) ALDH1A1KDM4EGAACYP1A2CYP2C19
SCHEMBL29158062 0.78 ALDH1A1 (0.50) ALDH1A1IMPDH2SMN1; SMN2NPC1RAB9A
SCHEMBL1495316 0.77 CA12 (0.41) ALDH1A1KDM4ESMN1; SMN2RAB9AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9617212-B2 Isoindolin-1-ones as macrophage migration inhibitory factor (MIF) inhibitors CONTROLLED CHEMICALS, INC. (US) 2017-04-11 US disclosed
US-9617212-B2 Isoindolin-1-ones as macrophage migration inhibitory factor (MIF) inhibitors CONTROLLED CHEMICALS, INC. (US) 2017-04-11 US disclosed
WO-2015095052-A1 ISOINDOLIN-1-ONES AS MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF) INHIBITORS CONTROLLED CHEMICALS, INC. (US) 2015-06-25 WO disclosed
WO-2015095052-A1 ISOINDOLIN-1-ONES AS MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF) INHIBITORS CONTROLLED CHEMICALS, INC. (US) 2015-06-25 WO disclosed
US-20150175540-A1 ISOINDOLIN-1-ONES AS MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF) INHIBITORS CONTROLLED CHEMICALS, INC. (US) 2015-06-25 US disclosed
US-20150175540-A1 ISOINDOLIN-1-ONES AS MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF) INHIBITORS CONTROLLED CHEMICALS, INC. (US) 2015-06-25 US disclosed
WO-2008020306-A2 ISOINDOLE DERIVATIVES PFIZER PRODUCTS INC. (US) 2008-02-21 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-20150175540-A1 ISOINDOLIN-1-ONES AS MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF) INHIBITORS MIF, MACF1, MYADM ALDH1A1 680/4885IMPDH2 88/4885KDM4E 4590/4885

“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.