SCHEMBL11912937

SCHEMBL11912937

O=C(Oc1ccc(Cl)cc1)N1CCc2c([nH]c3ccc(Cl)cc23)C1c1ccc(OCC2(CO)COCOC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TP53 P04637 6/20 0.47
MAPT P10636 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KIF11 P52732 7/20 0.45
ABCG2 Q9UNQ0 4/20 0.44
LMNA P02545 2/20 0.43
POLB P06746 1/20 0.42
ABCB1 P08183 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
SCHEMBL9962085 1.00 TP53 (0.47) TP53MAPTSMN1; SMN2KIF11ABCG2
SCHEMBL12980183 0.94 TP53 (0.45) TP53MAPTSMN1; SMN2KIF11ABCG2
SCHEMBL11912609 0.92 TP53 (0.48) TP53MAPTSMN1; SMN2KIF11ABCG2
SCHEMBL11912610 0.90 TP53 (0.47) TP53MAPTSMN1; SMN2KIF11ABCG2
SCHEMBL11912633 0.89 TP53 (0.45) TP53MAPTSMN1; SMN2KIF11ABCG2
SCHEMBL9965419 0.88 SIRT1 (0.40) TP53MAPTSMN1; SMN2KIF11ABCG2
SCHEMBL11917554 0.88 SIRT1 (0.40) TP53MAPTSMN1; SMN2KIF11ABCG2
SCHEMBL8403050 0.85 ABCG2 (0.57) TP53MAPTSMN1; SMN2KIF11ABCG2
SCHEMBL8403290 0.85 KIF11 (0.50) TP53MAPTSMN1; SMN2KIF11ABCG2
SCHEMBL9962097 0.84 KIF11 (0.49) TP53MAPTSMN1; SMN2KIF11ABCG2

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-9351964-B2 Methods for treating cancer and non-neoplastic conditions PTC THERAPEUTICS, INC. (US) 2016-05-31 US disclosed
US-9351964-B2 Methods for treating cancer and non-neoplastic conditions PTC THERAPEUTICS, INC. (US) 2016-05-31 US disclosed
US-20120202763-A1 METHODS FOR TREATING CANCER AND NON-NEOPLASTIC CONDITIONS PTC THERAPEUTICS, INC (US) 2012-08-09 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-20120202763-A1 METHODS FOR TREATING CANCER AND NON-NEOPLASTIC CONDITIONS HDGF, POLRMT, VEGFA TP53 16/4885MAPT 3328/4885SMN1; SMN2 3473/4885

“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.