SCHEMBL18409634

SCHEMBL18409634

FC(F)(F)c1ccccc1-c1nc(CCc2c[nH]c3ccccc23)oc1-c1ccccc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.46
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ GAA P10253 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ HTR6 P50406 2/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ CYP2D6 P10635 2/20 0.41
▸ USP2 O75604 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ CLK4 Q9HAZ1 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ HDAC4 P56524 1/20 0.39
▸ MPO P05164 1/20 0.39
▸ CYP2A6 P11509 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ HTR1D P28221 1/20 0.39
▸ HTR1B P28222 1/20 0.39

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
SCHEMBL18409719 0.94 MEN1 (0.45) MAPTMEN1KMT2AGAARAB9A
SCHEMBL18409338 0.90 ALDH1A1 (0.46) MAPTMEN1KMT2ARAB9ACYP3A4
SCHEMBL18409693 0.82 LMNA (0.45) MAPTMEN1KMT2AGAARAB9A
SCHEMBL18409341 0.78 RXRA (0.49) MAPTMEN1KMT2AGAAHTR6
SCHEMBL18409686 0.78 TRPV1 (0.47) MAPTMEN1KMT2ALMNAHDAC4
SCHEMBL18409638 0.77 MEN1 (0.46) MAPTMEN1KMT2AGAARAB9A
SCHEMBL18409336 0.76 RXRA (0.56) MAPTMEN1KMT2AHTR6LMNA
SCHEMBL18409722 0.76 MAPT (0.44) MAPTMEN1KMT2AGAARAB9A
SCHEMBL18409331 0.76 PDE10A (0.54) HTR6CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL18409636 0.75 RXRA (0.48) MAPTMEN1KMT2AGAAHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10844051-B2 Substituted oxazoles for the treatment of cancer THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY 2020-11-24 — — US disclosed
US-20180208586-A1 COMPOUNDS AND USES THEREOF IN THE TREATMENT OF CANCERS AND OTHER MEDICAL CONDITIONS THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2018-07-26 — — US disclosed
WO-2017011920-A1 COMPOUNDS AND USES THEREOF IN THE TREATMENT OF CANCERS AND OTHER MEDICAL CONDITIONS THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2017-01-26 — — 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-20180208586-A1 COMPOUNDS AND USES THEREOF IN THE TREATMENT OF CANCERS AND OTHER MEDICAL CONDITIONS VHL, TP53, CD44 MAPT 1911/4885MEN1 88/4885KMT2A 1901/4885
US-10844051-B2 Substituted oxazoles for the treatment of cancer OXA1L, PDCD1, MCL1 MAPT 4624/4885MEN1 2789/4885KMT2A 1214/4885

“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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