SCHEMBL18409638

SCHEMBL18409638

Fc1ccccc1-c1nc(CCCc2c[nH]c3ccccc23)oc1-c1ccccc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ CCKBR P32239 4/20 0.45
▸ HTR6 P50406 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ MPO P05164 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2A6 P11509 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ HTR1D P28221 1/20 0.43
▸ HTR1B P28222 1/20 0.43
▸ HTR2A P28223 1/20 0.43
▸ HTR2C P28335 1/20 0.43
▸ HTR7 P34969 1/20 0.43
▸ CTSK P43235 1/20 0.43
▸ CYP2A13 Q16696 1/20 0.43
▸ TAAR1 Q96RJ0 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL18409578 0.87 ALDH1A1 (0.48) MEN1KMT2ACCKBRMAPTCYP3A4
SCHEMBL18409722 0.85 MAPT (0.44) MEN1KMT2AHTR6MAPTMPO
SCHEMBL18409719 0.84 MEN1 (0.45) MEN1KMT2AHTR6MAPTMPO
SCHEMBL18409640 0.82 HTR1A (0.47) MEN1KMT2AHTR6MAPTHTR2A
SCHEMBL18409639 0.80 GPR84 (0.52) MEN1KMT2AHTR1A
SCHEMBL18409642 0.79 NR4A2 (0.53) HTR6CYP3A4HTR2AHTR2CHTR7
SCHEMBL18409693 0.78 LMNA (0.45) MEN1KMT2AHTR6MAPTMPO
SCHEMBL18409637 0.78 CDK4 (0.46) MEN1KMT2AHTR6HTR2AHTR7
SCHEMBL18409634 0.77 MAPT (0.46) MEN1KMT2AHTR6MAPTMPO
SCHEMBL20419778 0.76 HTR1A (0.44) MEN1KMT2AHTR6MAPTHTR2A

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 MEN1 88/4885KMT2A 1901/4885CCKBR 2561/4885
US-10844051-B2 Substituted oxazoles for the treatment of cancer OXA1L, PDCD1, MCL1 MEN1 2789/4885KMT2A 1214/4885CCKBR 3236/4885

“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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