SCHEMBL18409698

SCHEMBL18409698

O=C(Cc1c[nH]c2ccccc12)NCc1nc(-c2cccc(F)c2)c(-c2cccc(F)c2)o1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.52
MAPT P10636 4/20 0.49
CDK4 P11802 1/20 0.48
CCND1 P24385 1/20 0.48
GAA P10253 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HTT P42858 1/20 0.47
PKM P14618 1/20 0.46
ICMT O60725 1/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 1/20 0.43
RAB9A P51151 2/20 0.42
MEN1 O00255 1/20 0.42
STAT3 P40763 1/20 0.42
HSD17B10 Q99714 1/20 0.42
POLB P06746 2/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
NAMPT P43490 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
SCHEMBL18409691 0.87 SMN1; SMN2 (0.54) LMNAMAPTGAASMN1; SMN2HTT
SCHEMBL18409743 0.87 CDK4 (0.42) LMNAMAPTCDK4CCND1GAA
SCHEMBL18409741 0.86 MAPT (0.50) LMNAMAPTCDK4CCND1SMN1; SMN2
SCHEMBL18409641 0.84 CDK4 (0.47) CDK4CCND1KMT2AMEN1RXRA
SCHEMBL18409571 0.83 GPR84 (0.50) MAPTCDK4CCND1KMT2AALDH1A1
SCHEMBL18409306 0.82 CDK4 (0.51) LMNAMAPTCDK4CCND1ICMT
SCHEMBL18409637 0.81 CDK4 (0.46) CDK4CCND1KMT2AMEN1RXRA
SCHEMBL20414447 0.81 NR4A2 (0.53) LMNAMAPTGAASMN1; SMN2HTT
SCHEMBL18409307 0.80 LMNA (0.53) LMNAMAPTCDK4CCND1GAA
SCHEMBL18409747 0.79 CDK4 (0.49) LMNAMAPTCDK4CCND1GAA

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 LMNA 1482/4885MAPT 1911/4885CDK4 357/4885
US-10844051-B2 Substituted oxazoles for the treatment of cancer OXA1L, PDCD1, MCL1 LMNA 4635/4885MAPT 4624/4885CDK4 76/4885
US-20200339554-A1 COMPOUNDS AND USES THEREOF IN THE TREATMENT OF CANCERS AND OTHER MEDICAL CONDITIONS KRAS, NRAS, VHL LMNA 2809/4885MAPT 3997/4885CDK4 59/4885

“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.