SCHEMBL21786446

SCHEMBL21786446

Cn1nc(-c2ccc(OCc3ccc(Cl)cc3)c(-c3ccc(F)cc3)c2O)cc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 4/20 0.40
TP53 P04637 5/20 0.38
MDM2 Q00987 2/20 0.38
MAPT P10636 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PTPN1 P18031 1/20 0.37
THRB P10828 1/20 0.36
ADORA2A P29274 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
RAB9A P51151 1/20 0.36
CCR5 P51681 2/20 0.35
CYP2C9 P11712 1/20 0.35
KMT2A Q03164 1/20 0.35
CNR1 P21554 1/20 0.35
LRRK2 Q5S007 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL21786420 0.93 PTPN1 (0.40) PTGER1TP53MAPTSMN1; SMN2NPSR1
SCHEMBL22791300 0.90 ARF6 (0.39) PTGER1MAPTSMN1; SMN2NPSR1CCR5
SCHEMBL21786468 0.90 SLC6A4 (0.37) PTGER1TP53MAPTSMN1; SMN2NPSR1
SCHEMBL21786590 0.89 NPSR1 (0.36) PTGER1TP53MAPTSMN1; SMN2NPSR1
SCHEMBL31635947 0.89 SLC6A4 (0.37) PTGER1TP53MAPTSMN1; SMN2NPSR1
SCHEMBL21786625 0.89 SMN1; SMN2 (0.36) TP53MAPTSMN1; SMN2NPSR1PTPN1
SCHEMBL21786467 0.89 SLC6A4 (0.37) PTGER1TP53MAPTSMN1; SMN2NPSR1
SCHEMBL21786535 0.88 THRB (0.36) PTGER1MAPTPTPN1THRBRAB9A
SCHEMBL21786618 0.88 SMN1; SMN2 (0.38) TP53MAPTSMN1; SMN2NPSR1PTPN1
SCHEMBL21786627 0.88 MAPT (0.41) PTGER1MAPTNPSR1PTPN1KMT2A

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
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
WO-2020257261-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS NORTHWESTERN UNIVERSITY (US) 2020-12-24 WO 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 PTGER1 4862/4885TP53 5/4885MDM2 134/4885
US-20210395206-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS MYC, MYCBP, MYCBP2 PTGER1 4862/4885TP53 5/4885MDM2 134/4885
US-11142504-B2 Substituted heterocycles as c-MYC targeting agents MYC, MYCBP, MYCBP2 PTGER1 4862/4885TP53 5/4885MDM2 134/4885

“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.