SCHEMBL18005359

SCHEMBL18005359

CCCCCCCCCCCCCCCCc1nc(N2CCC2)nc(OCC)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ TSHR P16473 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ GAA P10253 2/20 0.35
▸ GALR3 O60755 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ MAPK1 P28482 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ GBA1 P04062 2/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ MAPT P10636 4/20 0.32
▸ PKM P14618 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ CHRM1 P11229 1/20 0.30
▸ KCNQ3 O43525 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
SCHEMBL22509220 1.00 SMN1; SMN2 (0.35) SMN1; SMN2ALDH1A1TSHRLMNAGAA
SCHEMBL18005415 0.88 KCNQ3 (0.38) LMNAGBA1MEN1KMT2AHTT
SCHEMBL18005469 0.85 SMN1; SMN2 (0.35) SMN1; SMN2ALDH1A1TSHRLMNAGAA
SCHEMBL18005531 0.84 KDM4E (0.35) SMN1; SMN2ALDH1A1LMNAMEN1KMT2A
SCHEMBL18029915 0.84 MEN1 (0.36) SMN1; SMN2LMNAMEN1KMT2ANPSR1
SCHEMBL19900340 0.83 CHRM1 (0.30) CHRM1
SCHEMBL18005358 0.83 CHRM1 (0.30) CHRM1
SCHEMBL19900131 0.81 NPY5R (0.36) SMN1; SMN2ALDH1A1LMNAMEN1KMT2A
SCHEMBL19899801 0.81 NPY5R (0.36) SMN1; SMN2ALDH1A1LMNAMEN1KMT2A
SCHEMBL18005522 0.81 MEN1 (0.32) SMN1; SMN2LMNAMEN1KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3719006-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING DEUTERATED AND UNDEUTERATED 2-AMINO-PYRIMIDIN-5-OL DERIVATIVES FOR TREATING MITOCHONDRIAL DISEASES (E.G. OBESITY) UNIV ARIZONA STATE (US) 2022-04-06 — — EP disclosed
EP-3719006-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING DEUTERATED AND UNDEUTERATED 2-AMINO-PYRIMIDIN-5-OL DERIVATIVES FOR TREATING MITOCHONDRIAL DISEASES (E.G. OBESITY) UNIV ARIZONA STATE (US) 2022-04-06 — — EP disclosed
EP-3719006-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING DEUTERATED AND UNDEUTERATED 2-AMINO-PYRIMIDIN-5-OL DERIVATIVES FOR TREATING MITOCHONDRIAL DISEASES (E.G. OBESITY) Arizona Board of Regents on behalf of Arizona State University (US) 2020-10-07 — — EP disclosed
EP-3719006-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING DEUTERATED AND UNDEUTERATED 2-AMINO-PYRIMIDIN-5-OL DERIVATIVES FOR TREATING MITOCHONDRIAL DISEASES (E.G. OBESITY) Arizona Board of Regents on behalf of Arizona State University (US) 2020-10-07 — — EP disclosed
EP-3259254-B1 DEUTERATED AND UNDEUTERATED 2-AMINO-PYRIMIDIN-5-OL DERIVATIVES FOR TREATING MITOCHONDRIAL DISEASES (E.G. OBESITY) UNIV ARIZONA STATE (US) 2020-07-01 — — EP disclosed
EP-3259254-B1 DEUTERATED AND UNDEUTERATED 2-AMINO-PYRIMIDIN-5-OL DERIVATIVES FOR TREATING MITOCHONDRIAL DISEASES (E.G. OBESITY) UNIV ARIZONA STATE (US) 2020-07-01 — — EP disclosed
US-10364227-B2 Therapeutic compounds ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2019-07-30 — — US disclosed
US-10364227-B2 Therapeutic compounds ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2019-07-30 — — US disclosed
US-20180319751-A1 THERAPEUTIC COMPOUNDS ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2018-11-08 — — US disclosed
WO-2016133959-A9 THERAPEUTIC COMPOUNDS ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2018-02-22 — — WO disclosed
WO-2016133959-A9 THERAPEUTIC COMPOUNDS ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2018-02-22 — — WO disclosed
EP-3259254-A1 THERAPEUTIC COMPOUNDS Arizona Board of Regents on behalf of Arizona State University (US) 2017-12-27 — — EP disclosed
WO-2016133959-A1 THERAPEUTIC COMPOUNDS ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2016-08-25 — — WO disclosed
WO-2016133959-A1 THERAPEUTIC COMPOUNDS ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2016-08-25 — — 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 (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-20180319751-A1 THERAPEUTIC COMPOUNDS SDHA, CYP11B1, CYP11B2 SMN1; SMN2 268/4885ALDH1A1 176/4885TSHR 2394/4885
US-10364227-B2 Therapeutic compounds SDHA, CYP11B1, CYP11B2 SMN1; SMN2 268/4885ALDH1A1 176/4885TSHR 2394/4885

“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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