SCHEMBL9965419

SCHEMBL9965419

O=C(Oc1ccc(Cl)cc1)N1CCc2c([nH]c3ccc(Cl)cc23)[C@@H]1C1=CC=C(OCC2(CO)COCOC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 1/20 0.40
KIF11 P52732 14/20 0.39
TP53 P04637 3/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ABCG2 Q9UNQ0 2/20 0.37
ABCB1 P08183 1/20 0.37

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
SCHEMBL11917554 1.00 SIRT1 (0.40) SIRT1KIF11TP53MAPTSMN1; SMN2
SCHEMBL11912937 0.88 TP53 (0.47) KIF11TP53MAPTSMN1; SMN2ABCG2
SCHEMBL9962085 0.88 TP53 (0.47) KIF11TP53MAPTSMN1; SMN2ABCG2
SCHEMBL16299521 0.83 KIF11 (0.48) SIRT1KIF11TP53MAPTSMN1; SMN2
SCHEMBL12980183 0.82 TP53 (0.45) KIF11TP53MAPTSMN1; SMN2ABCG2
SCHEMBL11912609 0.80 TP53 (0.48) KIF11TP53MAPTSMN1; SMN2ABCG2
SCHEMBL22238497 0.80 KIF11 (0.38) SIRT1KIF11TP53MAPTSMN1; SMN2
SCHEMBL16358487 0.79 SIRT1 (0.42) SIRT1KIF11TP53MAPTSMN1; SMN2
SCHEMBL11912610 0.79 TP53 (0.47) SIRT1KIF11TP53MAPTSMN1; SMN2
SCHEMBL16359684 0.78 KIF11 (0.42) SIRT1KIF11TP53MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120202763-A1 METHODS FOR TREATING CANCER AND NON-NEOPLASTIC CONDITIONS PTC THERAPEUTICS, INC (US) 2012-08-09 US disclosed
US-20120202801-A1 METHODS FOR TREATING BREAST CANCER PTC THERAPEUTICS, INC. 2012-08-09 US disclosed
US-20120178707-A1 METHODS FOR TREATING PROSTRATE CONDITIONS PTC THERAPEUTICS, INC. 2012-07-12 US disclosed
US-20120157401-A1 METHODS FOR TREATING NEUROFIBROMATOSIS PTC THERAPEUTICS, INC. 2012-06-21 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 (4 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 SIRT1 2518/4885KIF11 2569/4885TP53 16/4885
US-20120157401-A1 METHODS FOR TREATING NEUROFIBROMATOSIS VHL, NGF, VEGFA SIRT1 1929/4885KIF11 1626/4885TP53 99/4885
US-20120202801-A1 METHODS FOR TREATING BREAST CANCER VEGFA, FLT4, FLT1 SIRT1 687/4885KIF11 1215/4885TP53 34/4885
US-20120178707-A1 METHODS FOR TREATING PROSTRATE CONDITIONS ACP3, BPHL, PTGFR SIRT1 552/4885KIF11 1310/4885TP53 380/4885

“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.