SCHEMBL5454201

SCHEMBL5454201

Cn1c(NCCO)nc2ccccc21

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.70
KDM4E B2RXH2 3/20 0.70
TSHR P16473 3/20 0.66
HSD17B10 Q99714 1/20 0.64
SMN1; SMN2 Q16637 8/20 0.62
RAB9A P51151 6/20 0.62
NPC1 O15118 5/20 0.62
LMNA P02545 1/20 0.62
TP53 P04637 2/20 0.56
KMT2A Q03164 2/20 0.56
GAA P10253 2/20 0.56
POLB P06746 1/20 0.56
USP2 O75604 1/20 0.55
MAPK1 P28482 1/20 0.55
HPGD P15428 2/20 0.55
MEN1 O00255 1/20 0.55
MAPT P10636 1/20 0.55
GFER P55789 1/20 0.53

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
SCHEMBL5458651 0.90 SMN1; SMN2 (0.59) ALDH1A1KDM4ETSHRHSD17B10SMN1; SMN2
SCHEMBL5114079 0.85 RAB9A (0.64) ALDH1A1KDM4ETSHRHSD17B10SMN1; SMN2
SCHEMBL6204453 0.83 RAB9A (0.62) ALDH1A1KDM4ETSHRHSD17B10SMN1; SMN2
SCHEMBL9698171 0.83 RAB9A (0.62) ALDH1A1KDM4ETSHRHSD17B10SMN1; SMN2
SCHEMBL12136194 0.81 RAB9A (0.68) ALDH1A1KDM4ETSHRHSD17B10SMN1; SMN2
SCHEMBL9696974 0.80 RAB9A (0.55) ALDH1A1KDM4ETSHRHSD17B10SMN1; SMN2
SCHEMBL17488258 0.78 KDM4E (0.58) ALDH1A1KDM4ETSHRHSD17B10SMN1; SMN2
SCHEMBL5811766 0.77 RAB9A (0.62) ALDH1A1KDM4ETSHRHSD17B10SMN1; SMN2
SCHEMBL9568272 0.75 SMN1; SMN2 (0.68) ALDH1A1KDM4ETSHRSMN1; SMN2RAB9A
SCHEMBL20715326 0.75 KDM4E (0.65) ALDH1A1KDM4ETSHRSMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023020604-A1 FIVE-MEMBERED NITROGEN-CONTAINING HETEROCYCLIC AND HETEROARYL DERIVATIVE AND USE THEREOF 南京大美生物制药有限公司 2023-02-23 WO disclosed
US-8969577-B2 Curable composition comprising a thermolatent base BASF SE (DE) 2015-03-03 US disclosed
US-8969577-B2 Curable composition comprising a thermolatent base BASF SE (DE) 2015-03-03 US disclosed
EP-2367794-B1 CURABLE COMPOSITION COMPRISING A THERMOLATENT BASE BASF SE (DE) 2013-01-09 EP disclosed
US-20110245375-A1 CURABLE COMPOSITION COMPRISING A THERMOLATENT BASE BASF SE (DE) 2011-10-06 US disclosed
US-20110245375-A1 CURABLE COMPOSITION COMPRISING A THERMOLATENT BASE BASF SE (DE) 2011-10-06 US disclosed
WO-2010057922-A1 CURABLE COMPOSITION COMPRISING A THERMOLATENT BASE BASF SE (DE) 2010-05-27 WO disclosed
US-20070232673-A1 2-Imino-benzimidazoles ABBOTT LABORATORIES 2007-10-04 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 (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-20110245375-A1 CURABLE COMPOSITION COMPRISING A THERMOLATENT BASE COIL, MAPT, ASH2L ALDH1A1 2185/4885KDM4E 1082/4885TSHR 4677/4885
US-20070232673-A1 2-Imino-benzimidazoles CYP2C19, UGT2B7, UGT2B17 ALDH1A1 39/4885KDM4E 2704/4885TSHR 2626/4885

“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.