SCHEMBL18409693

SCHEMBL18409693

Oc1ccccc1-c1nc(CCc2c[nH]c3ccccc23)oc1-c1ccccc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.45
▸ GAA P10253 2/20 0.43
▸ HTR6 P50406 3/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ HTR2A P28223 2/20 0.43
▸ HTR7 P34969 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
▸ HTR2C P28335 1/20 0.43
▸ CTSK P43235 1/20 0.43
▸ CYP2A13 Q16696 1/20 0.43
▸ TAAR1 Q96RJ0 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
SCHEMBL18409722 0.93 MAPT (0.44) GAAHTR6RAB9AMEN1KMT2A
SCHEMBL18409636 0.90 RXRA (0.48) LMNAGAAHTR6MEN1KMT2A
SCHEMBL20419889 0.90 RAB9A (0.42) LMNAGAAHTR6RAB9AMEN1
SCHEMBL18409576 0.89 ALDH1A1 (0.49) LMNAHTR6RAB9AMEN1KMT2A
SCHEMBL18409634 0.82 MAPT (0.46) LMNAGAAHTR6RAB9AMEN1
SCHEMBL18409341 0.82 RXRA (0.49) LMNAGAAHTR6MEN1KMT2A
SCHEMBL18409692 0.80 HTR6 (0.53) LMNAGAAHTR6RAB9AHTR2A
SCHEMBL18409331 0.79 PDE10A (0.54) LMNAHTR6HTR2AHTR7MPO
SCHEMBL18409638 0.78 MEN1 (0.46) GAAHTR6RAB9AMEN1KMT2A
SCHEMBL18409685 0.77 PTPN1 (0.46) LMNAGAAHTR6HTR2AHTR7

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 LMNA 1482/4885GAA 208/4885HTR6 4055/4885
US-10844051-B2 Substituted oxazoles for the treatment of cancer OXA1L, PDCD1, MCL1 LMNA 4635/4885GAA 1574/4885HTR6 4248/4885

“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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