SCHEMBL598792

SCHEMBL598792

CC(C)n1cc(C(=O)C(=O)NCCN2CCCCC2)c2ncccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.42
▸ POLB P06746 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ RECQL P46063 1/20 0.41
▸ TSHR P16473 2/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ SLC40A1 Q9NP59 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ USP14 P54578 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SHMT2 P34897 1/20 0.38

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
SCHEMBL599479 0.85 PARP1 (0.43) PARP1POLBALDH1A1MAPTTSHR
SCHEMBL598268 0.83 ALDH1A1 (0.48) POLBALDH1A1MAPTTSHRPKM
Hydrochloric Acid SCHEMBL599366 0.82 ALDH1A1 (0.47) POLBALDH1A1MAPTTSHRPKM
SCHEMBL599063 0.82 ALDH1A1 (0.49) ALDH1A1MAPTTSHRMEN1KMT2A
SCHEMBL598431 0.81 PKM (0.39) POLBALDH1A1MAPTTSHRPKM
SCHEMBL598043 0.80 ALDH1A1 (0.40) ALDH1A1MAPTTSHRPKMMEN1
SCHEMBL598435 0.80 NTRK1 (0.42) —
SCHEMBL3009570 0.79 MTNR1A (0.41) PARP1POLBALDH1A1MAPTRECQL
SCHEMBL599361 0.78 TSHR (0.44) POLBTSHRNPSR1PKMMEN1
SCHEMBL599151 0.78 GAA (0.54) ALDH1A1MAPTTSHRKDM4ELMNA

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-2445877-A2 BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME Nanotherapeutics, Inc. (US) 2012-05-02 — — EP claimed
US-8114894-B2 Bicyclic compounds and methods of making and using same NANOTHERAPEUTICS, INC. (US) 2012-02-14 — — US claimed
US-20100197723-A1 BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME NANOSHIFT, LLC 2010-08-05 — — US claimed
WO-2010065743-A2 BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME NANOTHERAPEUTICS, INC. (US) 2010-06-10 — — WO claimed
EP-2445877-A2 BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME Nanotherapeutics, Inc. (US) 2012-05-02 — — EP disclosed
US-20120088793-A1 Bicyclic Compounds and Methods of Making and Using Same NANOTHERAPEUTICS, INC. 2012-04-12 — — US disclosed
US-8114894-B2 Bicyclic compounds and methods of making and using same NANOTHERAPEUTICS, INC. (US) 2012-02-14 — — US disclosed
US-20100197723-A1 BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME NANOSHIFT, LLC 2010-08-05 — — US disclosed
WO-2010065743-A2 BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME NANOTHERAPEUTICS, INC. (US) 2010-06-10 — — 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-20120088793-A1 Bicyclic Compounds and Methods of Making and Using Same HTR2C, HTR3A, HTR3C PARP1 1603/4885POLB 3430/4885ALDH1A1 1162/4885
US-20100197723-A1 BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME HTR2C, HTR3A, HTR3C PARP1 1603/4885POLB 3430/4885ALDH1A1 1162/4885

“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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