SCHEMBL660740

SCHEMBL660740

CC(=O)NCCSc1ccc(Cl)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEAD1 P28347 1/20 0.71
YAP1 P46937 1/20 0.71
TEAD4 Q15561 1/20 0.71
TEAD2 Q15562 1/20 0.71
MTNR1A P48039 3/20 0.70
MTNR1B P49286 3/20 0.70
MEN1 O00255 6/20 0.59
KMT2A Q03164 6/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
NPC1 O15118 1/20 0.59
RAB9A P51151 1/20 0.59
POLB P06746 1/20 0.57
ALDH1A1 P00352 2/20 0.56
KDM4E B2RXH2 1/20 0.56
MAPT P10636 5/20 0.56
HTT P42858 5/20 0.54
LMNA P02545 4/20 0.54
NPSR1 Q6W5P4 2/20 0.54
CNR1 P21554 1/20 0.53

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
SCHEMBL8412413 0.84 MTNR1A (0.72) TEAD1YAP1TEAD4TEAD2MTNR1A
SCHEMBL14241835 0.83 TEAD1 (0.77) TEAD1YAP1TEAD4TEAD2MEN1
SCHEMBL9212481 0.83 MTNR1A (0.70) TEAD1YAP1TEAD4TEAD2MTNR1A
SCHEMBL10316528 0.82 MTNR1A (1.00) MTNR1AMTNR1BMEN1KMT2ASMN1; SMN2
SCHEMBL9221638 0.81 MTNR1A (0.68) TEAD1YAP1TEAD4TEAD2MTNR1A
SCHEMBL3400130 0.80 MTNR1A (1.00) MTNR1AMTNR1BKMT2ASMN1; SMN2L3MBTL1
SCHEMBL12749860 0.80 MTNR1A (0.56) TEAD1YAP1TEAD4TEAD2MTNR1A
SCHEMBL8620244 0.79 MTNR1A (0.70) TEAD1YAP1TEAD4TEAD2MTNR1A
SCHEMBL1009290 0.79 MTNR1A (0.70) TEAD1YAP1TEAD4TEAD2MTNR1A
SCHEMBL6242156 0.79 TEAD1 (0.56) TEAD1YAP1TEAD4TEAD2MTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10703754-B2 Compounds and compositions for treating chemical warfare agent-induced injuries ELI LILLY AND COMPANY (US) 2020-07-07 US disclosed
US-20190194202-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELI LILLY AND COMPANY 2019-06-27 US disclosed
US-20180265511-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELI LILLY AND COMPANY 2018-09-20 US disclosed
US-20180133170-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS ELI LILLY AND COMPANY 2018-05-17 US disclosed
US-9315454-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-04-19 US disclosed
US-20120046305-A1 METHODS AND COMPOSITIONS FOR TREATING RESPIRATORY DISORDERS ELI LILLY AND COMPANY 2012-02-23 US disclosed
US-20090143377-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS ELI LILLY AND COMPANY 2009-06-04 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 (6 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-10703754-B2 Compounds and compositions for treating chemical warfare agent-induced injuries ELANE, CASP3, MMP8 TEAD1 4285/4885YAP1 4372/4885TEAD4 4141/4885
US-20180133170-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 TEAD1 4111/4885YAP1 2634/4885TEAD4 3763/4885
US-20180265511-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 TEAD1 4285/4885YAP1 4372/4885TEAD4 4141/4885
US-20090143377-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 TEAD1 4111/4885YAP1 2634/4885TEAD4 3763/4885
US-20120046305-A1 METHODS AND COMPOSITIONS FOR TREATING RESPIRATORY DISORDERS TRPA1, TRPV1, TRPV3 TEAD1 3443/4885YAP1 2926/4885TEAD4 3296/4885
US-20190194202-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 TEAD1 4285/4885YAP1 4372/4885TEAD4 4141/4885

“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.