SCHEMBL5576507

SCHEMBL5576507

COc1c(C(=O)NCCN(C)Cc2ccccc2)n(CC(C)(C)C)c(=O)c2cc(Cl)c(Cl)cc12

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 13/20 0.48
TMEM97 Q5BJF2 10/20 0.48
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
ATM Q13315 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CACNA1G O43497 1/20 0.41
RAB9A P51151 1/20 0.40

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
Hydrochloric Acid SCHEMBL5576381 0.99 SIGMAR1 (0.48) SIGMAR1TMEM97KDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL5577118 0.94 SIGMAR1 (0.52) SIGMAR1TMEM97KDM4EALDH1A1MEN1
SCHEMBL5576540 0.76 ALDH1A1 (0.35) KDM4EALDH1A1TSHRTP53SMN1; SMN2
SCHEMBL5576892 0.75 PDE3B (0.39) KDM4EALDH1A1
Hydrochloric Acid SCHEMBL5577102 0.74 HTR4 (0.46) KDM4EALDH1A1ATMHSD17B10MEN1
SCHEMBL5576633 0.72 CCR2 (0.41) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL11639395 0.69 ALDH1A1 (0.61) SIGMAR1TMEM97ALDH1A1HPGDMEN1
SCHEMBL17372639 0.66 SIGMAR1 (1.00) SIGMAR1TMEM97MEN1KMT2A
SCHEMBL11473004 0.66 DRD4 (0.65) SIGMAR1TMEM97ALDH1A1RAB9A
SCHEMBL11455234 0.66 SIGMAR1 (0.60) SIGMAR1TMEM97MEN1KMT2ASMN1; SMN2

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-20070117840-A1 Receptor antagonist TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-24 US claimed
EP-1604983-A1 RECEPTOR ANTAGONIST Takeda Pharmaceutical Company Limited (JP) 2005-12-14 EP claimed
US-20070117840-A1 Receptor antagonist TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-24 US disclosed
EP-1604983-A1 RECEPTOR ANTAGONIST Takeda Pharmaceutical Company Limited (JP) 2005-12-14 EP 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 (1 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-20070117840-A1 Receptor antagonist FSHR, NR4A1, GHRHR SIGMAR1 24/4885TMEM97 678/4885KDM4E 2749/4885

“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.