SCHEMBL3009570

SCHEMBL3009570

CC(C)n1cc(C(=O)C(=O)NCCN2CCCCC2)c2cccnc21.CC(C)n1ccc2cccnc21

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 1/20 0.41
▸ TYK2 P29597 6/20 0.40
▸ POLR1A O95602 6/20 0.40
▸ KCNH2 Q12809 2/20 0.40
▸ PARP1 P09874 1/20 0.39
▸ SHMT2 P34897 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ SLC40A1 Q9NP59 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ TSHR P16473 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
SCHEMBL599479 0.94 PARP1 (0.43) TYK2PARP1SHMT2ALDH1A1POLB
SCHEMBL598792 0.79 PARP1 (0.42) PARP1SHMT2ALDH1A1POLBMAPT
SCHEMBL598268 0.79 ALDH1A1 (0.48) SHMT2ALDH1A1POLBMAPTTSHR
Hydrochloric Acid SCHEMBL599366 0.78 ALDH1A1 (0.47) SHMT2ALDH1A1POLBMAPTTSHR
SCHEMBL599063 0.78 ALDH1A1 (0.49) SHMT2ALDH1A1MAPTTSHR
Hydrochloric Acid SCHEMBL3008541 0.76 GAA (0.47) ALDH1A1POLBMAPT
SCHEMBL598043 0.76 ALDH1A1 (0.40) SHMT2ALDH1A1MAPTTSHR
SCHEMBL598435 0.76 NTRK1 (0.42) —
Hydrochloric Acid SCHEMBL3006169 0.76 KDM4E (0.42) POLR1AKCNH2SHMT2ALDH1A1POLB
SCHEMBL598771 0.74 KMT2A (0.41) ALDH1A1MAPTNPSR1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100197723-A1 BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME NANOSHIFT, LLC 2010-08-05 — — 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-20100197723-A1 BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME HTR2C, HTR3A, HTR3C MTNR1A 192/4885TYK2 3353/4885POLR1A 1891/4885

“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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