SCHEMBL2783294

SCHEMBL2783294

COc1cccc(OC)c1CNC(=N)Nc1ncccc1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
DHODH Q02127 1/20 0.39
CD274 Q9NZQ7 9/20 0.39
PDCD1 Q15116 2/20 0.39
HIF1A Q16665 1/20 0.39
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
ALOX15 P16050 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
ROCK2 O75116 1/20 0.38
GFER P55789 1/20 0.37

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
Acetic Acid SCHEMBL2781634 0.96 CD274 (0.42) KDRKDM4EMAPTNPSR1DHODH
SCHEMBL2783935 0.91 DHODH (0.40) DHODHCD274ROCK2
Acetic Acid SCHEMBL2780913 0.89 DHODH (0.43) KDM4EMAPTNPSR1DHODHCD274
SCHEMBL2781543 0.89 ALDH1A1 (0.47) MAPTNPSR1USP2ALDH1A1CYP1A2
Acetic Acid SCHEMBL2781486 0.85 HTT (0.48) MAPTNPSR1USP2ALDH1A1CYP1A2
SCHEMBL2780832 0.83 GFER (0.51) KDM4EMAPTALDH1A1CYP1A2CYP3A4
SCHEMBL2779928 0.82 HTR2A (0.38) KDM4EMAPTNPSR1HIF1AALDH1A1
SCHEMBL2379689 0.82 ROCK2 (0.42) MAPTCD274PDCD1HIF1AALDH1A1
SCHEMBL2781791 0.81 KMT2A (0.46) KDM4EMAPTNPSR1HIF1AUSP2
Acetic Acid SCHEMBL2782764 0.81 GFER (0.52) KDM4EMAPTNPSR1HIF1AALDH1A1

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-9296697-B2 Hetaryl-substituted guanidine compounds and use thereof as binding partners for 5-HT5-receptors ABBOTT LABORATORIES (US) 2016-03-29 US claimed
US-9296697-B2 Hetaryl-substituted guanidine compounds and use thereof as binding partners for 5-HT5-receptors ABBOTT LABORATORIES (US) 2016-03-29 US disclosed
US-20100184787-A1 Heataryl-substituted guanidine compounds and use thereof as binding partners for 5-ht5-receptors ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2010-07-22 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 (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-20100184787-A1 Heataryl-substituted guanidine compounds and use thereof as binding partners for 5-ht5-receptors HTR5A, HTR2C, HTR1E KDR 1461/4885KDM4E 3290/4885MAPT 131/4885

“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.