SCHEMBL3953541

SCHEMBL3953541

CC1(C)CC(C(CCNCc2ccccc2)Cc2ccccc2)CCO1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.60
▸ MEN1 O00255 1/20 0.60
▸ KMT2A Q03164 1/20 0.60
▸ GAA P10253 1/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ ALDH1A1 P00352 3/20 0.45
▸ GLA P06280 2/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ MAPT P10636 2/20 0.41
▸ OPRM1 P35372 1/20 0.40
▸ LMNA P02545 1/20 0.40

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
SCHEMBL3954069 0.95 SMN1; SMN2 (0.58) SMN1; SMN2MEN1KMT2AGAAMAPK1
SCHEMBL4055307 0.94 SMN1; SMN2 (0.57) SMN1; SMN2MEN1KMT2AGAAMAPK1
SCHEMBL3956731 0.94 SMN1; SMN2 (0.57) SMN1; SMN2MEN1KMT2AGAAMAPK1
SCHEMBL3953652 0.93 MEN1 (0.59) SMN1; SMN2MEN1KMT2AGAAMAPK1
SCHEMBL3953445 0.92 ALDH1A1 (0.58) SMN1; SMN2MEN1KMT2AGAAMAPK1
SCHEMBL3953292 0.92 MEN1 (0.74) SMN1; SMN2MEN1KMT2AGAAMAPK1
SCHEMBL4541507 0.90 SMN1; SMN2 (0.53) SMN1; SMN2MEN1KMT2AGAAMAPK1
SCHEMBL8360044 0.89 GAA (0.55) SMN1; SMN2MEN1KMT2AGAAMAPK1
SCHEMBL8363155 0.83 MAPK1 (0.53) SMN1; SMN2MEN1KMT2AGAAMAPK1
SCHEMBL8363238 0.83 MAPK1 (0.59) SMN1; SMN2MEN1KMT2AGAAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1551388-A4 COMPOUNDS USEFUL FOR THE TREATMENT OF CANCER, COMPOSITIONS THEREOF AND METHODS THEREWITH SIGNAL PHARM INC (US) 2009-07-15 — — EP disclosed
US-20060142352-A1 Compounds useful for the treatment of cancer, compositions thereof and methods therewith SIGNAL PHARMACEUTICALS, LLC 2006-06-29 — — US disclosed
US-7037936-B2 Compounds useful for the treatment of cancer, compositions thereof and methods therewith SIGNAL PHARMACEUTICALS, LLC. (US) 2006-05-02 — — US disclosed
US-20060030617-A1 COMPOUNDS USEFUL FOR THE TREATMENT OF CANCER, COMPOSITIONS THEREOF AND METHODS THEREWITH NEW YORK UNIVERSITY 2006-02-09 — — US disclosed
CN-1674888-A Compounds for the treatment of cancer, compositions thereof and methods of use thereof SIGNAL PHARM INC (US) 2005-09-28 — — CN disclosed
EP-1551388-A2 COMPOUNDS USEFUL FOR THE TREATMENT OF CANCER, COMPOSITIONS THEREOF AND METHODS THEREWITH Signal Pharmaceuticals, Inc. (US) 2005-07-13 — — EP disclosed
WO-2003105774-A2 COMPOUNDS USEFUL FOR THE TREATMENT OF CANCER, COMPOSITIONS THEREOF AND METHODS THEREWITH SIGNAL PHARMACEUTICALS, INC. (US) 2003-12-24 — — WO 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-20060142352-A1 Compounds useful for the treatment of cancer, compositions thereof and methods therewith KEAP1, VHL, IKBKG SMN1; SMN2 2919/4885MEN1 2685/4885KMT2A 585/4885
US-20060030617-A1 COMPOUNDS USEFUL FOR THE TREATMENT OF CANCER, COMPOSITIONS THEREOF AND METHODS THEREWITH KEAP1, VHL, IKBKG SMN1; SMN2 2919/4885MEN1 2685/4885KMT2A 585/4885

“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.

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