SCHEMBL18409722

SCHEMBL18409722

Oc1ccccc1-c1nc(CCCc2c[nH]c3ccccc23)oc1-c1ccccc1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ SLC6A4 P31645 1/20 0.42
▸ KMT2A Q03164 5/20 0.42
▸ HTR6 P50406 3/20 0.42
▸ HTR1A P08908 2/20 0.41
▸ MEN1 O00255 4/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ CYP2D6 P10635 2/20 0.41
▸ HTR2A P28223 2/20 0.41
▸ HTR7 P34969 2/20 0.41
▸ MPO P05164 1/20 0.41
▸ CYP2A6 P11509 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ HTR1D P28221 1/20 0.41
▸ HTR1B P28222 1/20 0.41
▸ HTR2C P28335 1/20 0.41
▸ CTSK P43235 1/20 0.41
▸ CYP2A13 Q16696 1/20 0.41

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
SCHEMBL18409693 0.93 LMNA (0.45) MAPTKMT2AHTR6HTR1AMEN1
SCHEMBL18409576 0.87 ALDH1A1 (0.49) MAPTTDP1KMT2AHTR6MEN1
SCHEMBL18409638 0.85 MEN1 (0.46) MAPTTDP1SLC6A4KMT2AHTR6
SCHEMBL20419889 0.83 RAB9A (0.42) MAPTTDP1KMT2AHTR6HTR1A
SCHEMBL18409636 0.83 RXRA (0.48) MAPTKMT2AHTR6HTR1AMEN1
SCHEMBL18409719 0.83 MEN1 (0.45) MAPTTDP1SLC6A4KMT2AHTR6
SCHEMBL18409640 0.83 HTR1A (0.47) MAPTSLC6A4KMT2AHTR6HTR1A
SCHEMBL18409642 0.80 NR4A2 (0.53) SLC6A4HTR6HTR1ACYP3A4HTR2A
SCHEMBL18409633 0.78 PTPN1 (0.45) HTR6HTR1AHTR2AHTR7DRD2
SCHEMBL20419778 0.77 HTR1A (0.44) MAPTTDP1SLC6A4KMT2AHTR6

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 1911/4885TDP1 2148/4885SLC6A4 4415/4885
US-10844051-B2 Substituted oxazoles for the treatment of cancer OXA1L, PDCD1, MCL1 MAPT 4624/4885TDP1 2127/4885SLC6A4 4402/4885

“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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