SCHEMBL4582223

SCHEMBL4582223

N#Cc1ccccc1-c1cc2ccccc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.54
CHEK1 O14757 1/20 0.54
RAB9A P51151 4/20 0.54
KDM4E B2RXH2 4/20 0.54
MAPT P10636 4/20 0.54
MEN1 O00255 3/20 0.54
ALDH1A1 P00352 3/20 0.54
HPGD P15428 3/20 0.54
KMT2A Q03164 3/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
NPC1 O15118 3/20 0.52
USP2 O75604 1/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ITK Q08881 3/20 0.47

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
SCHEMBL695257 0.83 CYP19A1 (0.41) KDRCHEK1RAB9AKDM4EMAPT
SCHEMBL5051826 0.82 KDR (0.68) KDRCHEK1RAB9AKDM4EMAPT
SCHEMBL9846713 0.82 KDM4E (0.49) RAB9AKDM4EMAPTMEN1ALDH1A1
SCHEMBL28479668 0.82 CYP19A1 (0.58) CHEK1CYP19A1TRPA1
SCHEMBL28903107 0.82 KDM4E (0.44) KDRCHEK1RAB9AKDM4EMAPT
SCHEMBL28485391 0.82 PTGES (0.46) KDRCHEK1RAB9AKDM4EMAPT
Benzene SCHEMBL27629233 0.81 RAB9A (0.69) KDRCHEK1RAB9AKDM4EMAPT
Methane SCHEMBL28704887 0.81 KDR (0.66) KDRCHEK1RAB9AKDM4EMAPT
SCHEMBL6303491 0.79 KDM4E (0.61) KDRRAB9AKDM4EMAPTMEN1
SCHEMBL10176240 0.77 KDR (0.61) KDRCHEK1RAB9AKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080119457-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-05-22 US claimed
WO-2008024978-A2 TETRAHYDROINDOLONE AND TETRAHYDROINDAZOLONE DERIVATIVES SERENEX, INC. (US) 2008-02-28 WO claimed
CN-111793069-B Method for efficiently preparing fused ring compound containing indole structural unit 清华大学 2021-05-18 CN disclosed
CN-111793069-B Method for efficiently preparing fused ring compound containing indole structural unit 清华大学 2021-05-18 CN disclosed
CN-111793069-A Method for efficiently preparing fused ring compound containing indole structural unit 清华大学 2020-10-20 CN disclosed
CN-111793069-A Method for efficiently preparing fused ring compound containing indole structural unit 清华大学 2020-10-20 CN 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-20080119457-A1 Benzene, Pyridine, and Pyridazine Derivatives MKI67, CCNB1, RB1 KDR 206/4885CHEK1 1637/4885RAB9A 3769/4885

“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.