SCHEMBL18205229

SCHEMBL18205229

Cc1cc(C(=O)O)ccc1C(=N)NO

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 3/20 0.45
TSHR P16473 2/20 0.45
ESR1 P03372 1/20 0.45
ALOX15 P16050 1/20 0.45
PTPN7 P35236 1/20 0.45
HSD17B10 Q99714 1/20 0.45
GRM1 Q13255 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NR1H4 Q96RI1 1/20 0.40
EPHX2 P34913 1/20 0.39
NPC1 O15118 1/20 0.39
NEU3 Q9UQ49 1/20 0.39

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
SCHEMBL18205175 0.81 LMNA (0.45) TSHRHSD17B10MEN1KMT2AKDM4E
SCHEMBL44342 0.78 MYC (0.58) MYCTSHRESR1ALOX15PTPN7
SCHEMBL29399874 0.78 MYC (0.58) MYCTSHRESR1ALOX15PTPN7
SCHEMBL4884083 0.77 TP53 (0.41) TDP1KMT2ASMN1; SMN2NPC1HDAC1
SCHEMBL20608785 0.77 HDAC1 (0.43) MEN1KMT2AGAAEPHX2HDAC1
Ammonia Solution, Strong SCHEMBL11880552 0.77 MYC (0.56) MYCTSHRESR1ALOX15PTPN7
SCHEMBL11454527 0.77 MYC (0.61) MYCTSHRESR1ALOX15PTPN7
Hydrochloric Acid SCHEMBL3169435 0.77 MYC (0.56) MYCTSHRESR1ALOX15PTPN7
Water SCHEMBL3832510 0.77 MYC (0.56) MYCTSHRESR1ALOX15PTPN7
Benzene SCHEMBL9009251 0.77 KDM4E (0.57) MYCTSHRESR1ALOX15PTPN7

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-20190202795-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION INC (US) 2019-07-04 US disclosed
US-10053434-B2 Histone deacetylase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2018-08-21 US disclosed
US-20160326124-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2016-11-10 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 (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-20190202795-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF HDAC1, HDAC7, HDAC5 MYC 3196/4885TSHR 4604/4885ESR1 4754/4885
US-10053434-B2 Histone deacetylase inhibitors and compositions and methods of use thereof HDAC1, HDAC7, HDAC5 MYC 3196/4885TSHR 4604/4885ESR1 4754/4885
US-20160326124-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF HDAC1, HDAC7, HDAC5 MYC 3196/4885TSHR 4604/4885ESR1 4754/4885

“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.