SCHEMBL19706512

SCHEMBL19706512

CC(=O)Nc1ccc(OC[C@@H](O)CO)nn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.40
CYP1A2 P05177 4/20 0.39
TSHR P16473 2/20 0.39
MEN1 O00255 2/20 0.39
CYP2D6 P10635 2/20 0.39
KMT2A Q03164 2/20 0.39
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
OPRK1 P41145 1/20 0.39
ALOX15 P16050 1/20 0.39
CYP2C19 P33261 1/20 0.39
GLS O94925 1/20 0.38
PTK2 Q05397 1/20 0.38
MAPT P10636 4/20 0.37
LMNA P02545 4/20 0.37
KDM4E B2RXH2 1/20 0.37
AGTR1 P30556 1/20 0.37
RAB9A P51151 1/20 0.37
MAPK1 P28482 2/20 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
SCHEMBL19736276 1.00 MAPK8 (0.40) MAPK8CYP1A2TSHRMEN1CYP2D6
SCHEMBL19699564 0.86 ALDH1A1 (0.37) MAPK8CYP1A2TSHRALOX15CYP2C19
SCHEMBL19728690 0.86 ALDH1A1 (0.37) MAPK8CYP1A2TSHRALOX15CYP2C19
SCHEMBL19736278 0.83 KDM4E (0.40) CYP1A2KMT2AGLSLMNAKDM4E
SCHEMBL19706514 0.80 MAPK8 (0.66) MAPK8CYP1A2TSHRMEN1CYP2D6
SCHEMBL19706515 0.80 MAPK8 (0.66) MAPK8CYP1A2TSHRMEN1CYP2D6
SCHEMBL19706500 0.79 PTK2 (0.39) MAPK8CYP1A2TSHRMEN1CYP2D6
SCHEMBL19706499 0.79 PTK2 (0.39) MAPK8CYP1A2TSHRMEN1CYP2D6
Hydrochloric Acid SCHEMBL9700509 0.78 CYP1A2 (0.35) CYP1A2TSHRMEN1KMT2ACYP2C19
SCHEMBL19706702 0.78 KMT2A (0.47) CYP1A2TSHRMEN1CYP2D6KMT2A

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-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-21 US disclosed
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 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-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 MAPK8 1686/4885CYP1A2 2450/4885TSHR 2418/4885
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 MAPK8 1815/4885CYP1A2 2481/4885TSHR 2548/4885

“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.