SCHEMBL5653419

SCHEMBL5653419

Cc1c(Br)cc2nc(C3=CCC(=S)C(C(=O)NCc4cccnc4)=C3)[nH]c2c1C

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
HPGD P15428 3/20 0.40
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NAMPT P43490 2/20 0.38
TYMS P04818 1/20 0.38
MAPT P10636 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
GAA P10253 1/20 0.37
MMP13 P45452 1/20 0.37
POLB P06746 1/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 1/20 0.36
RECQL P46063 1/20 0.36
MAPK1 P28482 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL5653421 0.77 TSHR (0.44) TSHRHPGDALDH1A1KDM4EHSD17B10
SCHEMBL5653423 0.63 TSHR (0.44) TSHRHPGDALDH1A1KDM4EHSD17B10
SCHEMBL2378577 0.62 ALDH1A1 (0.63) TSHRHPGDALDH1A1MAPTCYP1A2
SCHEMBL2375981 0.62 ALDH1A1 (0.72) TSHRHPGDALDH1A1MAPTCYP1A2
SCHEMBL245193 0.60 SCD (0.58) TSHRHPGDALDH1A1HSD17B10CYP1A2
SCHEMBL3364526 0.60 GAA (0.69) TSHRHPGDALDH1A1MAPTCYP1A2
SCHEMBL14480144 0.60 NAMPT (0.59) TSHRHPGDALDH1A1NAMPTMAPT
SCHEMBL3051517 0.59 HPGD (0.57) TSHRHPGDALDH1A1HSD17B10CYP1A2
SCHEMBL30731252 0.58 HDAC1 (0.59) HPGDALDH1A1KDM4EMAPTCYP1A2
SCHEMBL29437161 0.58 MMP13 (0.85) TSHRHPGDALDH1A1NAMPTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7220769-B2 Azolylbenzamides and analogues and their use for treating osteoporosis NIKEM RESEARCH S.R.L. (IT) 2007-05-22 US disclosed
US-20050038095-A1 Azolylbenzamides and analogues and their use for treating osteoporosis 3-V BIOSCIENCES, INC. 2005-02-17 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 (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-20050038095-A1 Azolylbenzamides and analogues and their use for treating osteoporosis NR0B2, NR0B1, NCOR1 TSHR 161/4885HPGD 1586/4885ALDH1A1 2893/4885

“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.