SCHEMBL18313621

SCHEMBL18313621

Fc1ccc(COc2ccc(CNC3CCCCC3)cc2OCc2ccc(F)cc2F)c(F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.55
▸ MEN1 O00255 2/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ HTT P42858 2/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ GAA P10253 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.47
▸ MAPT P10636 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ KCNH2 Q12809 4/20 0.47
▸ HTR2A P28223 3/20 0.44
▸ HTR2C P28335 3/20 0.44
▸ SLC6A4 P31645 3/20 0.44
▸ BCHE P06276 1/20 0.43
▸ ACHE P22303 1/20 0.43
▸ BACE1 P56817 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ GRIN2B Q13224 1/20 0.43
▸ HRH3 Q9Y5N1 1/20 0.43
▸ OPRL1 P41146 1/20 0.42

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
SCHEMBL18313571 0.87 ALDH1A1 (0.60) KMT2AMEN1SMN1; SMN2HTTKDM4E
SCHEMBL18313620 0.84 HTR2C (0.46) KMT2AMEN1SMN1; SMN2HTTHTR2A
SCHEMBL18313743 0.83 ALDH1A1 (0.50) KMT2AHTTKDM4EGAAALDH1A1
SCHEMBL22877395 0.79 HTT (0.43) KMT2AHTTKDM4EGAAALDH1A1
SCHEMBL24079779 0.78 BCHE (0.59) KMT2AMEN1SMN1; SMN2HTTKDM4E
SCHEMBL18313624 0.77 KMT2A (0.57) KMT2AMEN1SMN1; SMN2HTTKDM4E
SCHEMBL17481532 0.75 KMT2A (0.55) KMT2AMEN1SMN1; SMN2HTTKDM4E
SCHEMBL18677377 0.73 CCR3 (0.59) ALDH1A1KCNH2CYP2D6GRIN2BHRH3
SCHEMBL12204109 0.73 OPRL1 (0.50) SMN1; SMN2KDM4EALDH1A1HTR2AHTR2C
Carbamic Acid SCHEMBL5490727 0.73 KMT2A (0.53) KMT2AMEN1SMN1; SMN2HTTKDM4E

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-11560352-B2 P62-ZZ small molecule modulators University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2023-01-24 — — US disclosed
US-11560352-B2 P62-ZZ small molecule modulators University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2023-01-24 — — US disclosed
US-20210009506-A1 P62-ZZ SMALL MOLECULE MODULATORS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2021-01-14 — — US disclosed
US-20210009506-A1 P62-ZZ SMALL MOLECULE MODULATORS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2021-01-14 — — US disclosed
US-10759739-B2 P62-ZZ small molecule modulators University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2020-09-01 — — US disclosed
US-10759739-B2 P62-ZZ small molecule modulators University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2020-09-01 — — US disclosed
US-20180265452-A1 P62-ZZ CHEMICAL INHIBITOR UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2018-09-20 — — US disclosed
WO-2016200827-A1 P62-ZZ CHEMICAL INHIBITOR UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2016-12-15 — — 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 (4 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-20210009506-A1 P62-ZZ SMALL MOLECULE MODULATORS ADRM1, SQSTM1, NCOR1 KMT2A 1181/4885MEN1 3583/4885SMN1; SMN2 3278/4885
US-10759739-B2 P62-ZZ small molecule modulators ADRM1, SQSTM1, NCOR1 KMT2A 1183/4885MEN1 3571/4885SMN1; SMN2 3271/4885
US-11560352-B2 P62-ZZ small molecule modulators ADRM1, SQSTM1, NCOR1 KMT2A 1181/4885MEN1 3583/4885SMN1; SMN2 3278/4885
US-20180265452-A1 P62-ZZ CHEMICAL INHIBITOR SQSTM1, ADRM1, NCOR1 KMT2A 1076/4885MEN1 3045/4885SMN1; SMN2 3247/4885

“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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