SCHEMBL4096798

SCHEMBL4096798

Nc1ccccc1Sc1c(Cl)cccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MAPT P10636 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
APOBEC3G Q9HC16 1/20 0.48
ALDH1A1 P00352 2/20 0.47
PKM P14618 1/20 0.47
PDE7A Q13946 5/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
NR4A2 P43354 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
SLC6A4 P31645 2/20 0.41
GFER P55789 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41

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
SCHEMBL5263187 0.82 ALDH1A1 (0.47) TSHRMEN1KMT2AMAPTNPSR1
SCHEMBL713707 0.77 MEN1 (0.68) TSHRMEN1KMT2AMAPTNPSR1
SCHEMBL29869345 0.77 MEN1 (0.68) TSHRMEN1KMT2AMAPTNPSR1
SCHEMBL15706716 0.75 AR (0.47) TSHRMAPTNPSR1ALDH1A1LMNA
SCHEMBL4099367 0.75 LMNA (0.54) TSHRMEN1KMT2AMAPTNPSR1
SCHEMBL9129444 0.74 CYP1A2 (0.57) TSHRMEN1KMT2AMAPTNPSR1
SCHEMBL6003193 0.74 MEN1 (0.65) TSHRMEN1KMT2AMAPTNPSR1
Hydrochloric Acid SCHEMBL8645056 0.74 MEN1 (0.65) TSHRMEN1KMT2AMAPTNPSR1
SCHEMBL28715207 0.74 CYP1A2 (0.47) TSHRMEN1KMT2AMAPTNPSR1
SCHEMBL3793122 0.73 TSHR (0.48) TSHRMEN1KMT2AALDH1A1LMNA

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
EP-2039677-B1 Organic compounds containing heteroatoms and their use in ziegler-natta catalyst with single activation center SHANGHAI INST ORGANIC CHEM (CN) 2014-04-23 EP disclosed
US-20140073500-A1 CLASS OF ORGANIC COMPOUNDS CONTAINING HETEROATOM AND ITS APPLICATIONS IN PREPARING SINGLE-SITE ZIEGLER-NATTA CATALYST SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2014-03-13 US disclosed
US-20090137383-A1 CLASS OF ORGANIC COMPOUNDS CONTAINING HETEROATOM AND ITS APPLICATIONS IN PREPARING SINGLE-SITE ZIEGLER-NATTA CATALYST SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2009-05-28 US disclosed
EP-2039677-A1 ORGANIC COMPOUNDS CONTAINING HETEROATOMS AND THEIR USE IN ZIEGLER-NATTA CATALYST WITH SINGLE ACTIVATION CENTER SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2009-03-25 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 (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-20140073500-A1 CLASS OF ORGANIC COMPOUNDS CONTAINING HETEROATOM AND ITS APPLICATIONS IN PREPARING SINGLE-SITE ZIEGLER-NATTA CATALYST CCNT1, SP1, CCNT2 TSHR 3856/4885MEN1 676/4885KMT2A 585/4885
US-20090137383-A1 CLASS OF ORGANIC COMPOUNDS CONTAINING HETEROATOM AND ITS APPLICATIONS IN PREPARING SINGLE-SITE ZIEGLER-NATTA CATALYST CCNT1, SP1, CCNT2 TSHR 3856/4885MEN1 676/4885KMT2A 585/4885

“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.