SCHEMBL4675449

SCHEMBL4675449

CC(=O)c1nnn(C(c2ccccc2)(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP1A2 P05177 2/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
RIPK1 Q13546 1/20 0.33
HPGD P15428 1/20 0.33
KCNN4 O15554 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
GRN P28799 1/20 0.32
SORT1 Q99523 1/20 0.32
LMNA P02545 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32

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
SCHEMBL16198654 0.87 SMN1; SMN2 (0.36) POLBSMN1; SMN2CYP1A2CYP2D6MAPT
SCHEMBL27997589 0.85 SMN1; SMN2 (0.35) POLBSMN1; SMN2CYP1A2CYP2D6MAPT
SCHEMBL1564264 0.83 ALDH1A1 (0.42) POLBSMN1; SMN2CYP1A2MAPTKMT2A
SCHEMBL21125416 0.83 POLB (0.34) POLBSMN1; SMN2CYP11B1CYP11B2
SCHEMBL1562633 0.80 TP53 (0.45) MAPTHPGDLMNAHTT
SCHEMBL761956 0.74 CYP11B1 (0.35) POLBSMN1; SMN2KCNN4CYP11B1CYP11B2
SCHEMBL9248619 0.74 RAB9A (0.39) POLBSMN1; SMN2MAPTKMT2AHPGD
SCHEMBL2897339 0.73 HPGD (0.42) POLBSMN1; SMN2MAPTKMT2AHPGD
SCHEMBL10611800 0.73 CES2 (0.36) POLBSMN1; SMN2MAPTKMT2AKCNN4
SCHEMBL24033595 0.72 POLB (0.35) POLBSMN1; SMN2MAPTKMT2ACYP2C19

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
EP-1142872-B1 AROMATIC HETEROCYCLE COMPOUNDS HAVING HIV INTEGRASE INHIBITING ACTIVITIES SHIONOGI & CO (JP) 2008-10-15 EP disclosed
US-7098201-B2 Heteroaromatic derivatives having an inhibitory activity against HIV integrase SHIONOGI & CO., LTD. (JP) 2006-08-29 US disclosed
CN-1178913-C Aromatic heterocycle compounds having HIV integrase inhibiting activities ��Ұ����ҩ��ʽ���� 2004-12-08 CN disclosed
US-20040002485-A1 Heteroaromatic derivatives having an inhibitory activity against HIV integrase FUJISHITA TOSHIO (JP) 2004-01-01 US disclosed
US-6645956-B1 1-(5-(4-fluorobenzyl)furan-2-yl)-3-hydroxy-3-(1H-1,2,4-triazol-3 -yl)-propenone; viricides; AIDS treatment SHIONOGI & CO., LTD. (JP) 2003-11-11 US disclosed
US-6620841-B1 Furan or benzofuran derivatives substituted with triazole; acquired immunodeficiency syndrome (AIDS) SHIONOGI & CO., LTD. (JP) 2003-09-16 US disclosed
CN-1335834-A Aromatic heterocyclic compounds having HIV integrase inhibitory activity SHIONOGI & CO (JP) 2002-02-13 CN disclosed
EP-1142872-A1 AROMATIC HETEROCYCLE COMPOUNDS HAVING HIV INTEGRASE INHIBITING ACTIVITIES SHIONOGI & CO., LTD. (JP) 2001-10-10 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 (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-20040002485-A1 Heteroaromatic derivatives having an inhibitory activity against HIV integrase RCOR1, BCOR, CYP8B1 POLB 58/4885SMN1; SMN2 4107/4885CYP1A2 61/4885

“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.