SCHEMBL2386718

SCHEMBL2386718

O=Cc1ccccc1-c1cn(C23CC4CC(CC(C4)C2)C3)nc1C(=O)N(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.39
▸ LMNA P02545 5/20 0.39
▸ NPSR1 Q6W5P4 4/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ HPGD P15428 2/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ HTT P42858 2/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.33
▸ PDK2 Q15119 1/20 0.32
▸ OPRM1 P35372 1/20 0.31
▸ OPRD1 P41143 1/20 0.31
▸ OPRK1 P41145 1/20 0.31
▸ OGFRL1 Q5TC84 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ MAPK1 P28482 1/20 0.31

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
SCHEMBL2390190 0.80 SRD5A2 (0.38) ALDH1A1LMNANPSR1MEN1KMT2A
SCHEMBL2386086 0.79 ALDH1A1 (0.56) ALDH1A1LMNANPSR1MEN1KMT2A
SCHEMBL3456539 0.59 ALDH1A1 (0.55) ALDH1A1LMNANPSR1MEN1KMT2A
SCHEMBL14397462 0.59 ALDH1A1 (0.34) ALDH1A1LMNAMEN1KMT2AHPGD
SCHEMBL249552 0.57 KMT2A (0.71) ALDH1A1LMNAMEN1KMT2AHPGD
SCHEMBL31175932 0.57 KMT2A (0.71) ALDH1A1LMNAMEN1KMT2AHPGD
SCHEMBL17476011 0.56 LMNA (0.47) ALDH1A1LMNANPSR1MEN1KMT2A
SCHEMBL31588841 0.55 KMT2A (0.67) ALDH1A1LMNANPSR1MEN1KMT2A
SCHEMBL27511393 0.55 KMT2A (0.67) ALDH1A1LMNANPSR1MEN1KMT2A
SCHEMBL547455 0.55 MEN1 (0.43) ALDH1A1LMNAMEN1KMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2957558-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES AbbVie Inc. (US) 2015-12-23 — — EP disclosed
EP-2550258-B1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC (US) 2015-08-19 — — EP disclosed
EP-2757105-A1 Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases Abbvie Inc. (US) 2014-07-23 — — EP disclosed
EP-2550258-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES Abbvie Inc. (US) 2013-01-30 — — EP disclosed
US-8343967-B2 Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBOTT LABORATORIES (US) 2013-01-01 — — US disclosed
US-20120214796-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC. 2012-08-23 — — US disclosed
US-8188077-B2 Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBOTT LABORATORIES (US) 2012-05-29 — — US disclosed
WO-2011119345-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2011-09-29 — — WO disclosed
US-20110237553-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2011-09-29 — — 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 (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-20120214796-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 ALDH1A1 4257/4885LMNA 2607/4885NPSR1 4799/4885
US-20110237553-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 ALDH1A1 4257/4885LMNA 2607/4885NPSR1 4799/4885

“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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