SCHEMBL18409688

SCHEMBL18409688

c1ccc(-c2nc(CNCCc3c[nH]c4ccccc34)oc2-c2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 12/20 0.65
HTR2A P28223 3/20 0.65
HTR1A P08908 2/20 0.65
DRD2 P14416 2/20 0.65
HTR7 P34969 2/20 0.65
MC5R P33032 2/20 0.59
MC3R P41968 2/20 0.59
MC1R Q01726 2/20 0.59
KCNT1 Q5JUK3 1/20 0.54
NR4A2 P43354 1/20 0.52

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
SCHEMBL18409331 0.87 PDE10A (0.54) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL18409642 0.85 NR4A2 (0.53) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL18409568 0.83 GPR84 (0.57) NR4A2
SCHEMBL18409691 0.81 SMN1; SMN2 (0.54) HTR2ADRD2NR4A2
SCHEMBL20414447 0.78 NR4A2 (0.53) HTR2ADRD2NR4A2
SCHEMBL18409692 0.78 HTR6 (0.53) HTR6HTR2AHTR1ADRD2HTR7
Hydrochloric Acid SCHEMBL11711794 0.78 NR4A2 (0.61) HTR2ADRD2NR4A2
SCHEMBL22692981 0.78 NR4A2 (0.46) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL18409348 0.77 HTR6 (0.61) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL18409639 0.76 GPR84 (0.52) HTR1ANR4A2

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 4 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-20200339554-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) 2020-10-29 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 (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-20180208586-A1 COMPOUNDS AND USES THEREOF IN THE TREATMENT OF CANCERS AND OTHER MEDICAL CONDITIONS VHL, TP53, CD44 HTR6 4055/4885HTR2A 4576/4885HTR1A 4682/4885
US-10844051-B2 Substituted oxazoles for the treatment of cancer OXA1L, PDCD1, MCL1 HTR6 4248/4885HTR2A 4582/4885HTR1A 4617/4885
US-20200339554-A1 COMPOUNDS AND USES THEREOF IN THE TREATMENT OF CANCERS AND OTHER MEDICAL CONDITIONS KRAS, NRAS, VHL HTR6 4759/4885HTR2A 4856/4885HTR1A 4870/4885

“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.