SCHEMBL21786601

SCHEMBL21786601

Cn1cc(-c2ccc(OCc3ccc(Cl)cc3)cc2F)c(C(F)(F)F)n1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.46
MAOA P21397 4/20 0.46
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
S1PR1 P21453 1/20 0.40
S1PR5 Q9H228 1/20 0.40
AR P10275 1/20 0.40
HDAC1 Q13547 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC5 Q9UQL6 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
APP P05067 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL21786422 0.90 LMNA (0.41) MAOBMAOALMNAPOLBAR
SCHEMBL19319901 0.88 LMNA (0.39) MAOBMAOALMNAPOLBAR
SCHEMBL21786419 0.86 MAOB (0.42) MAOBMAOALMNAPOLBAR
SCHEMBL21786603 0.85 POLB (0.40) MAOBMAOALMNAPOLBAR
SCHEMBL19319904 0.85 MAOB (0.49) MAOBMAOAS1PR1S1PR5AR
SCHEMBL21786598 0.81 LMNA (0.41) MAOBMAOALMNAPOLBAR
SCHEMBL21786606 0.78 MAOB (0.46) MAOBMAOAS1PR1S1PR5AR
SCHEMBL19319790 0.75 ALOX5AP (0.44) MAOBMAOALMNAHTTSMN1; SMN2
SCHEMBL21786421 0.75 LMNA (0.41) MAOBMAOALMNAPOLBCYP1A2
SCHEMBL23912958 0.74 ALOX5AP (0.41) MAOBMAOAPOLBCYP1A2CYP2C9

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-3426636-B1 SPECIFIC 2-(4-(PHENOXY)-1H-PYRAZOL-3-YL)PHENOL DERIVATIVES AS INHIBITORS OF C-MYC/DNA BINDING ACTIVITY FOR TREATING CANCER UNIV NORTHWESTERN (US) 2021-12-29 EP disclosed
US-20210395206-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS NORTHWESTERN UNIVERSITY 2021-12-23 US disclosed
US-11142504-B2 Substituted heterocycles as c-MYC targeting agents NORTHWESTERN UNIVERSITY (US) 2021-10-12 US disclosed
US-20200392116-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS NORTHWESTERN UNIVERSITY (US) 2020-12-17 US disclosed
WO-2020046382-A1 SUBSTITUTED HETEROCYCLES AS C-MYC TARGETING AGENTS NORTHWESTERN UNIVERSITY (US) 2020-03-05 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 (3 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-20200392116-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS MYC, MYCBP, MYCBP2 MAOB 3099/4885MAOA 3659/4885LMNA 3025/4885
US-20210395206-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS MYC, MYCBP, MYCBP2 MAOB 3099/4885MAOA 3659/4885LMNA 3025/4885
US-11142504-B2 Substituted heterocycles as c-MYC targeting agents MYC, MYCBP, MYCBP2 MAOB 3099/4885MAOA 3659/4885LMNA 3025/4885

“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.