SCHEMBL18739762

SCHEMBL18739762

C=C(O)CNCCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 6/20 0.55
▸ GAA P10253 2/20 0.55
▸ MAPT P10636 1/20 0.55
▸ DPP7 Q9UHL4 2/20 0.53
▸ MPO P05164 1/20 0.50
▸ KCNH2 Q12809 1/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ ATM Q13315 1/20 0.48
▸ TAAR1 Q96RJ0 1/20 0.48
▸ KDM1A O60341 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ HTR1A P08908 1/20 0.48
▸ ADRA2A P08913 1/20 0.48
▸ CYP2C8 P10632 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48

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
SCHEMBL606163 0.84 SIGMAR1 (0.52) SIGMAR1GAAMAPTDPP7MPO
SCHEMBL5226075 0.80 SIGMAR1 (0.61) SIGMAR1GAAMAPTDPP7MPO
SCHEMBL3399836 0.80 GAA (0.57) SIGMAR1GAAMAPTDPP7ATM
SCHEMBL283735 0.79 SIGMAR1 (0.81) SIGMAR1GAAMAPTKCNH2NPC1
SCHEMBL157742 0.79 KEAP1 (0.59) SIGMAR1GAAMAPTDPP7SMN1; SMN2
Hydrochloric Acid SCHEMBL10493762 0.78 MAPT (0.59) SIGMAR1GAAMAPTDPP7SMN1; SMN2
SCHEMBL8140699 0.77 SIGMAR1 (0.77) SIGMAR1GAAMAPTKCNH2NPC1
SCHEMBL13937400 0.77 SIGMAR1 (0.77) SIGMAR1GAAMAPTKCNH2NPC1
Hydrochloric Acid SCHEMBL5028920 0.77 SIGMAR1 (0.77) SIGMAR1GAAMAPTKCNH2NPC1
SCHEMBL8360505 0.76 ALDH1A1 (0.57) SIGMAR1GAAMAPTDPP7NPC1

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-20170101440-A1 METHODS OF TREATING OPHTHALMIC DISEASES USING NPR-B AGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-04-13 — — 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-20170101440-A1 METHODS OF TREATING OPHTHALMIC DISEASES USING NPR-B AGONISTS NPR1, EDNRB, NPR3 SIGMAR1 493/4885GAA 2517/4885MAPT 4566/4885

“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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