SCHEMBL15313351

SCHEMBL15313351

NOC(=O)[C@@H](N)Cc1c[nH]c2cc(Cl)ccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 7/20 0.53
GPR84 Q9NQS5 1/20 0.52
HTR2A P28223 3/20 0.51
TACR1 P25103 2/20 0.51
PTPRA P18433 1/20 0.49
KDM4E B2RXH2 2/20 0.48
LMNA P02545 2/20 0.48
MAPT P10636 2/20 0.48
TSHR P16473 2/20 0.48
BLM P54132 2/20 0.48
PMP22 Q01453 2/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
MPO P05164 1/20 0.48
HIF1A Q16665 1/20 0.48
SCN9A Q15858 1/20 0.47
CYP2C19 P33261 1/20 0.47
HDAC8 Q9BY41 1/20 0.46
TNF P01375 1/20 0.45
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL18427690 0.89 HTR2A (0.51) SOS1GPR84HTR2ATACR1PTPRA
SCHEMBL11283545 0.89 HTR2A (0.53) SOS1GPR84HTR2ATACR1PTPRA
SCHEMBL11283543 0.89 HTR2A (0.53) SOS1GPR84HTR2ATACR1PTPRA
Hydrochloric Acid SCHEMBL28173823 0.88 HTR2A (0.52) SOS1GPR84HTR2ATACR1PTPRA
SCHEMBL18029175 0.85 KMT2A (0.66) SOS1GPR84HTR2APTPRAKDM4E
SCHEMBL30381542 0.85 KMT2A (0.66) SOS1GPR84HTR2APTPRAKDM4E
SCHEMBL456668 0.85 KMT2A (0.66) SOS1GPR84HTR2APTPRAKDM4E
SCHEMBL29405769 0.85 KMT2A (0.66) SOS1GPR84HTR2APTPRAKDM4E
SCHEMBL10958198 0.85 SCN9A (0.59) SOS1GPR84HTR2APTPRAKDM4E
SCHEMBL623336 0.85 KMT2A (0.66) SOS1GPR84HTR2APTPRAKDM4E

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10471120-B2 Peptidomimetic macrocycles and uses thereof AILERON THERAPEUTICS, INC. (US) 2019-11-12 US disclosed
US-9505804-B2 Peptidomimetic macrocycles AILERON THERAPEUTICS, INC. (US) 2016-11-29 US disclosed
US-20160193283-A1 PEPTIDOMIMETIC MACROCYCLES AND USES THEREOF AILERON THERAPEUTICS, INC. 2016-07-07 US disclosed
US-20150051155-A1 PEPTIDOMIMETIC MACROCYCLES HOFFMANN-LA ROCHE, INC. 2015-02-19 US disclosed
US-20130274205-A1 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. 2013-10-17 US 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 (4 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-20160193283-A1 PEPTIDOMIMETIC MACROCYCLES AND USES THEREOF TP53, TP53BP1, MDM2 SOS1 1922/4885GPR84 2358/4885HTR2A 4410/4885
US-20150051155-A1 PEPTIDOMIMETIC MACROCYCLES TP53, MDM2, MDM4 SOS1 1976/4885GPR84 2792/4885HTR2A 3792/4885
US-10471120-B2 Peptidomimetic macrocycles and uses thereof TP53, TP53BP1, MDM2 SOS1 1922/4885GPR84 2358/4885HTR2A 4410/4885
US-20130274205-A1 PEPTIDOMIMETIC MACROCYCLES PROKR1, GLP1R, PROKR2 SOS1 3238/4885GPR84 763/4885HTR2A 3724/4885

“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.