SCHEMBL1587650

SCHEMBL1587650

Clc1nsnc1OCC1CO1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 5/20 0.37
TSHR P16473 4/20 0.37
TP53 P04637 3/20 0.37
HIF1A Q16665 2/20 0.37
CYP3A4 P08684 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GLA P06280 1/20 0.35
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP1A2 P05177 1/20 0.33
PPARG P37231 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL8789693 0.71 CHRM1 (0.33)
SCHEMBL1587116 0.70 ALDH1A1 (0.58) TDP1ALDH1A1TSHRCYP3A4GLA
SCHEMBL1588109 0.70 ALDH1A1 (0.58) TDP1ALDH1A1TSHRCYP3A4GLA
SCHEMBL8788276 0.70
SCHEMBL10369462 0.69 TDP1 (0.34) TDP1ALDH1A1TSHRTP53HIF1A
SCHEMBL9167426 0.69 TDP1 (0.36) TDP1ALDH1A1TSHRTP53HIF1A
SCHEMBL7975046 0.67 ALDH1A1 (0.56) TDP1ALDH1A1TSHRTP53HIF1A
SCHEMBL11150188 0.66 TDP1 (0.47) TDP1ALDH1A1TSHRTP53HIF1A
SCHEMBL10982331 0.65 TDP1 (0.45) TDP1ALDH1A1TSHRTP53HIF1A
SCHEMBL4308247 0.64 TDP1 (0.41) TDP1ALDH1A1TSHRTP53HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110092507-A1 Process for preparing R-(+)-3-morpholino-4-(3- tert-butylamino-2-hydroxypropoxy)-1,2,5-thiadiazole SYN-TECH CHEM. & PHARM. CO., LTD. (TW) 2011-04-21 US disclosed
EP-0591486-A1 IMMUNO-ACTIVATING AND HENCE ANTI-VIRAL EFFECT OF 4- 3-(SUBST.-AMINO)-2-HYDROXYPROPOXY]-1,2,5-THIADIAZOLE COMPOUNDS PEUSCHEL, Karin, Elisabeth (CH) 1994-04-13 EP disclosed
WO-1993020814-A1 IMMUNO-ACTIVATING AND HENCE ANTI-VIRAL EFFECT OF 4-[3-(SUBST.-AMINO)-2-HYDROXYPROPOXY]-1,2,5-THIADIAZOLE COMPOUNDS PEUSCHEL KARIN ELISABETH (CH) 1993-10-28 WO disclosed
US-4634713-A ADRENERGIC BLOCKING AGENTS CIBA-GEIGY CORPORATION (US) 1987-01-06 US disclosed
EP-0096006-A2 3-(Ureidocyclohexylamino)-propane-1,2-diol derivatives, process for their preparation, pharmaceutical preparations containing these compounds and their therapeutical use CIBA-GEIGY AG (CH) 1983-12-07 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-20110092507-A1 Process for preparing R-(+)-3-morpholino-4-(3- tert-butylamino-2-hydroxypropoxy)-1,2,5-thiadiazole KCNH3, KCNN3, KCNH2 TDP1 2302/4885ALDH1A1 1588/4885TSHR 2065/4885

“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.