SCHEMBL5873045

SCHEMBL5873045

Cc1c(Cl)ccc2c(-c3nc(C(=O)N4CCN(c5ccccn5)CC4)c(-c4cccnc4)s3)n[nH]c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.41
HSD17B10 Q99714 6/20 0.41
KDM4E B2RXH2 5/20 0.41
KMT2A Q03164 4/20 0.41
HPGD P15428 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
TSHR P16473 4/20 0.40
MAPT P10636 2/20 0.40
USP2 O75604 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 2/20 0.39
GAA P10253 1/20 0.39
HTT P42858 2/20 0.39
MAPK1 P28482 2/20 0.39
SLC6A7 Q99884 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ESR1 P03372 1/20 0.38
CREBBP Q92793 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
RCE1 Q9Y256 1/20 0.38

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
SCHEMBL5873165 0.93 SLC6A7 (0.41) ALDH1A1KMT2AMAPTMEN1HTT
SCHEMBL5872792 0.92 TSHR (0.41) ALDH1A1HSD17B10KDM4EKMT2AHPGD
SCHEMBL5873025 0.89 ALDH1A1 (0.43) ALDH1A1KMT2AHPGDSMN1; SMN2TSHR
SCHEMBL5770403 0.89 PIM1 (0.42) ALDH1A1KMT2AMEN1HTT
SCHEMBL5873133 0.88 TACR3 (0.42) ALDH1A1KDM4EKMT2ATSHRMAPT
SCHEMBL5873016 0.87 KDM4E (0.44) ALDH1A1HSD17B10KDM4EKMT2AHPGD
SCHEMBL5872958 0.87 MKNK1 (0.43) ALDH1A1KMT2AMEN1HTT
SCHEMBL5872913 0.86 DYRK1A (0.40) ALDH1A1KMT2AMEN1HTT
SCHEMBL5873068 0.86 ALDH1A1 (0.42) ALDH1A1KDM4EKMT2AHPGDSMN1; SMN2
SCHEMBL5873054 0.86 PIM1 (0.40) ALDH1A1KDM4EKMT2AMAPTMEN1

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-6984652-B2 Gyrase inhibitors WARNER-LAMBERT COMPANY LLC (US) 2006-01-10 US disclosed
US-20050250823-A1 Gyrase inhibitors YAGER KRAIG 2005-11-10 US disclosed
US-20050054697-A1 Gyrase inhibitors PFIZER INC. 2005-03-10 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 (2 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-20050054697-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B ALDH1A1 2272/4885HSD17B10 1206/4885KDM4E 2869/4885
US-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B ALDH1A1 2272/4885HSD17B10 1206/4885KDM4E 2869/4885

“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.