SCHEMBL18769968

SCHEMBL18769968

Fc1c(Cl)sc2cc(Br)ccc12

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MIF P14174 2/20 0.37
▸ IDO1 P14902 1/20 0.35
▸ BCKDK O14874 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ NPC1 O15118 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ NT5E P21589 1/20 0.31
▸ EPM2A O95278 1/20 0.30
▸ PTPN2 P17706 1/20 0.30
▸ PTPN1 P18031 1/20 0.30
▸ PTPN22 Q9Y2R2 1/20 0.30
▸ HRH4 Q9H3N8 1/20 0.30

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
SCHEMBL18770003 0.80 CYP2A6 (0.34) MIFIDO1HSP90AA1NPC1ALDH1A1
SCHEMBL18791456 0.77 BCL2L1 (0.47) IDO1BCKDKNPC1ALDH1A1LMNA
SCHEMBL31095644 0.74 CYP2A6 (0.31) HSP90AA1
SCHEMBL29644557 0.74 RAB9A (0.41) MIFHSP90AA1NPC1ALDH1A1RAB9A
SCHEMBL205544 0.74 RAB9A (0.41) MIFHSP90AA1NPC1ALDH1A1RAB9A
SCHEMBL31095709 0.73 EPM2A (0.31) HSP90AA1EPM2APTPN2PTPN1PTPN22
SCHEMBL30406558 0.72 MIF (0.46) MIFIDO1BCKDKNPC1ALDH1A1
SCHEMBL4919520 0.72 MIF (0.46) MIFIDO1BCKDKNPC1ALDH1A1
SCHEMBL16693177 0.72 BCKDK (0.50) MIFBCKDKNPC1RAB9AKMT2A
SCHEMBL29826385 0.70 HRH4 (0.40) MIFHSP90AA1NPC1ALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3365061-A1 AMINOISOXAZOLINE COMPOUNDS AS AGONISTS OF ALPHA7-NICOTINIC ACETYLCHOLINE RECEPTORS Axovant Sciences GmbH (DE) 2018-08-29 — — EP disclosed
US-20170247393-A1 Aminoisoxazoline Compounds as Agonists of Alpha7-Nicotinic Acetylcholine Receptors FORUM PHARMACEUTICALS, INC. 2017-08-31 — — US disclosed
US-20170247393-A1 Aminoisoxazoline Compounds as Agonists of Alpha7-Nicotinic Acetylcholine Receptors FORUM PHARMACEUTICALS, INC. 2017-08-31 — — US disclosed
US-20170247393-A1 Aminoisoxazoline Compounds as Agonists of Alpha7-Nicotinic Acetylcholine Receptors FORUM PHARMACEUTICALS, INC. 2017-08-31 — — US disclosed
WO-2017069980-A1 AMINOISOXAZOLINE COMPOUNDS AS AGONISTS OF ALPHA7-NICOTINIC ACETYLCHOLINE RECEPTORS FORUM PHARMACEUTICALS, INC. (US) 2017-04-27 — — 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-20170247393-A1 Aminoisoxazoline Compounds as Agonists of Alpha7-Nicotinic Acetylcholine Receptors CHRNA7, CHRNA5, CHRNA2 MIF 4871/4885IDO1 1590/4885BCKDK 3528/4885

“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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