SCHEMBL2172544

SCHEMBL2172544

CC(C)C(O)C(CCCCOc1ccc(Cl)cc1Cl)n1cncn1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
TDP1 Q9NUW8 1/20 0.51
HPGD P15428 7/20 0.42
NLRP1 Q9C000 1/20 0.42
TSHR P16473 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 2/20 0.40
POLB P06746 1/20 0.39
HSP90AA1 P07900 1/20 0.39
S1PR4 O95977 2/20 0.39
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 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
SCHEMBL2172173 0.83 KDM4E (0.52) MEN1KMT2ATDP1TSHRSMN1; SMN2
SCHEMBL2315369 0.81 MAPK1 (0.41) MEN1KMT2ATDP1POLBHSP90AA1
SCHEMBL1923135 0.78 MEN1 (0.56) MEN1KMT2ATDP1POLBHSP90AA1
SCHEMBL2171989 0.78 GAA (0.44) MEN1KMT2AHPGDNLRP1TSHR
SCHEMBL3232475 0.78 MEN1 (0.41) MEN1KMT2ATDP1POLBHSP90AA1
SCHEMBL10692161 0.78 POLB (0.52) MEN1KMT2ATDP1HPGDTSHR
SCHEMBL2170715 0.77 MAPK1 (0.44) MEN1KMT2ATDP1TSHRMAPK1
SCHEMBL3237651 0.76 KMT2A (0.48) MEN1KMT2ATDP1TSHRNPC1
SCHEMBL3232870 0.75 SMN1; SMN2 (0.45) KMT2ATSHRSMN1; SMN2LMNA
SCHEMBL3233845 0.74 MEN1 (0.67) MEN1KMT2ATDP1HPGDTSHR

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-20110190122-A1 Triazole and Imidazole Compounds, Use Thereof and Agents Containing Them BASF SE (DE) 2011-08-04 US disclosed
EP-2346839-A1 TRIAZOLE AND IMIDAZOLE COMPOUNDS, USE THEREOF AND AGENTS CONTAINING THEM BASF SE (DE) 2011-07-27 EP disclosed
WO-2010040717-A1 TRIAZOLE AND IMIDAZOLE COMPOUNDS, USE THEREOF AND AGENTS CONTAINING THEM BASF SE (DE) 2010-04-15 WO 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-20110190122-A1 Triazole and Imidazole Compounds, Use Thereof and Agents Containing Them ABAT, OAT, TYR MEN1 1673/4885KMT2A 2641/4885TDP1 1292/4885

“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.