SCHEMBL18313624

SCHEMBL18313624

Cc1ccc(COc2ccc(CNC3CCCCC3)cc2OCc2ccc(C)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.57
▸ MEN1 O00255 4/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ ALDH1A1 P00352 4/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ HTT P42858 1/20 0.49
▸ MAPT P10636 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ HRH3 Q9Y5N1 1/20 0.48
▸ OPRK1 P41145 1/20 0.47
▸ POLB P06746 1/20 0.47

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; SMN2ALDH1A1KDM4E
SCHEMBL18313460 0.82 NPC1 (0.46) KMT2AMEN1POLB
SCHEMBL31192442 0.82 MEN1 (0.67) KMT2AMEN1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL5864236 0.80 HRH3 (0.72) SMN1; SMN2ALDH1A1KDM4EHRH3POLB
SCHEMBL11434269 0.78 HRH3 (0.69) KMT2AMEN1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL11684541 0.77 MEN1 (0.74) KMT2AMEN1ALDH1A1KDM4EHTT
SCHEMBL11684508 0.77 MEN1 (0.74) KMT2AMEN1ALDH1A1KDM4EHTT
SCHEMBL30147387 0.77 NPC1 (0.40) KMT2AMEN1SMN1; SMN2ALDH1A1MAPT
SCHEMBL18313621 0.77 KMT2A (0.55) KMT2AMEN1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL20847771 0.76 NPC1 (0.65) KMT2AMEN1SMN1; SMN2ALDH1A1KDM4E

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.

Send feedback