SCHEMBL18605288

SCHEMBL18605288

Cc1noc(C(=O)c2ccc(F)cc2)c1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ HTT P42858 2/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ LTA4H P09960 1/20 0.42
▸ GRM5 P41594 3/20 0.41
▸ BCL2L1 Q07817 1/20 0.41
▸ BAD Q92934 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ MAPT P10636 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ GFER P55789 1/20 0.38

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
SCHEMBL18605534 0.83 ALDH1A1 (0.47) MEN1KMT2AKDM4ENPC1RAB9A
SCHEMBL27627423 0.78 LMNA (0.46) MEN1KMT2AHTTKDM4ENPC1
SCHEMBL4332210 0.76 CYP1A2 (0.47) MEN1KMT2ACYP1A2CYP2C9KDM4E
SCHEMBL27315061 0.72 CYP1A2 (0.49) MEN1KMT2AHTTCYP1A2CYP2C9
SCHEMBL17736155 0.71 MEN1 (0.48) MEN1KMT2AKDM4ENPC1RAB9A
SCHEMBL9199700 0.69 POLB (0.45) MEN1KMT2ACYP1A2CYP2C9KDM4E
SCHEMBL23461557 0.68 HTT (0.50) HTTCYP1A2KDM4ENPC1TSHR
SCHEMBL1323891 0.68 ALDH1A1 (0.60) MEN1KMT2ACYP2C9RAB9AL3MBTL1
SCHEMBL27683874 0.68 AKR1C3 (0.49) MEN1KMT2AHTTKDM4ELTA4H
SCHEMBL25183930 0.68 MEN1 (0.45) MEN1KMT2AHTTKDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10556914-B2 Substituted isoxazolopyridazinones and isothiazolopyridazinones and methods of use ABBVIE INC. (US) 2020-02-11 — — US disclosed
EP-3350187-A1 SUBSTITUTED ISOXAZOLOPYRIDAZINONES AND ISOTHIAZOLOPYRIDAZINONES AND METHODS OF USE AbbVie Inc. (US) 2018-07-25 — — EP disclosed
WO-2017046117-A1 SUBSTITUTED ISOXAZOLOPYRIDAZINONES AND ISOTHIAZOLOPYRIDAZINONES AND METHODS OF USE ABBVIE INC. (US) 2017-03-23 — — WO disclosed
US-20170073353-A1 SUBSTITUTED ISOXAZOLOPYRIDAZINONES AND ISOTHIAZOLOPYRIDAZINONES AND METHODS OF USE AbbVie Deutschland GmbH & Co. KG (DE) 2017-03-16 — — 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 (2 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-10556914-B2 Substituted isoxazolopyridazinones and isothiazolopyridazinones and methods of use GABRB1, GABBR1, GABBR2 MEN1 4329/4885KMT2A 3524/4885HTT 3687/4885
US-20170073353-A1 SUBSTITUTED ISOXAZOLOPYRIDAZINONES AND ISOTHIAZOLOPYRIDAZINONES AND METHODS OF USE GABRB1, GABBR1, GABBR2 MEN1 4329/4885KMT2A 3524/4885HTT 3687/4885

“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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