SCHEMBL6975939

SCHEMBL6975939

CC(C)c1nc2cc(N3CCCC3)ccc2c(=O)[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TERT O14746 3/20 0.51
HSD17B10 Q99714 2/20 0.48
IP6K1 Q92551 2/20 0.45
IP6K3 Q96PC2 1/20 0.45
MAPT P10636 3/20 0.45
MEN1 O00255 2/20 0.45
ALDH1A1 P00352 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45
HPGD P15428 1/20 0.45
PARP14 Q460N5 2/20 0.43
PDE3B Q13370 2/20 0.42
PDE3A Q14432 2/20 0.42
PIK3CD O00329 1/20 0.42
PIK3CA P42336 1/20 0.42
PIK3CB P42338 1/20 0.42
ERCC1 P07992 1/20 0.42
DNASE1 P24855 1/20 0.42
FEN1 P39748 1/20 0.42

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
SCHEMBL16298728 0.82 TERT (0.55) TERTHSD17B10IP6K1IP6K3MAPT
SCHEMBL21524689 0.79 STAT3 (0.53) MAPTMEN1ALDH1A1KMT2AKDM4E
SCHEMBL23775859 0.76 KDM4E (0.45) HSD17B10MAPTALDH1A1KDM4EHPGD
SCHEMBL26438900 0.76 PARP1 (0.49) HSD17B10MAPTMEN1ALDH1A1KMT2A
SCHEMBL26451280 0.75 KDM4E (0.44) HSD17B10MAPTKDM4EPARP14PARG
SCHEMBL6985209 0.72 KDM4E (0.42) HSD17B10IP6K1MAPTALDH1A1KDM4E
SCHEMBL20509747 0.71 KDM4E (0.59) HSD17B10IP6K1IP6K3MAPTMEN1
Hydrochloric Acid SCHEMBL28023691 0.71 TUBB4A (0.53) HSD17B10MAPTALDH1A1KMT2AKDM4E
SCHEMBL2614349 0.70 KDM4E (0.62) MAPTALDH1A1KMT2AKDM4E
SCHEMBL19521610 0.69 KDM4E (0.40) HSD17B10MAPTALDH1A1KDM4EPARP14

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-8183276-B2 Therapeutic agents MERCK SHARP & DOHME CORP. 2012-05-22 US disclosed
US-20100324029-A1 THERAPEUTIC AGENTS MERCK SHARP & DOHME CORP. 2010-12-23 US disclosed
US-20100324029-A1 THERAPEUTIC AGENTS MERCK SHARP & DOHME CORP. 2010-12-23 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-20100324029-A1 THERAPEUTIC AGENTS PSEN2, PSEN1, BACE2 TERT 1121/4885HSD17B10 1886/4885IP6K1 1976/4885

“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.