SCHEMBL2815003

SCHEMBL2815003

Cc1c(-c2ccc(OCCO)cc2)nc2ccc(I)cn12

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 2/20 0.39
▸ CYP11B1 P15538 2/20 0.38
▸ CYP11B2 P19099 2/20 0.38
▸ RAB9A P51151 3/20 0.36
▸ MAPT P10636 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ GAA P10253 1/20 0.35
▸ NR1I2 O75469 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ NFKB2 Q00653 1/20 0.35
▸ RELA Q04206 1/20 0.35
▸ NR1H4 Q96RI1 1/20 0.35
▸ ALOX5 P09917 1/20 0.35
▸ BACE1 P56817 1/20 0.35

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
SCHEMBL2816919 0.82 CYP11B1 (0.37) CYP11B1CYP11B2RAB9AMAPTKDM4E
SCHEMBL2815533 0.80 MAPT (0.44) CYP11B1CYP11B2RAB9AMAPTKDM4E
SCHEMBL2817547 0.79 BACE1 (0.36) HRH3RAB9AMAPTKDM4ENPC1
Bromide SCHEMBL2818346 0.79 MAPT (0.43) CYP11B1CYP11B2RAB9AMAPTKDM4E
SCHEMBL2815720 0.78 HRH3 (0.42) HRH3MAPTCYP3A4
SCHEMBL2817090 0.77 CYP11B1 (0.53) CYP11B1CYP11B2RAB9AMAPTKDM4E
SCHEMBL1726360 0.73 APP (0.56) HRH3RAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL2817254 0.72 ALOX5 (0.48) CYP11B1CYP11B2RAB9AMAPTKDM4E
SCHEMBL17810219 0.69 PDE10A (0.34) CYP11B1CYP11B2RAB9AKDM4ESMN1; SMN2
SCHEMBL2820907 0.69 MTNR1B (0.43) RAB9AMAPTKDM4ENPC1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100249418-A1 NOVEL COMPOUND HAVING AFFINITY FOR AMYLOID NIHON MEDI-PHYSICS CO., LTD. (JP) 2010-09-30 — — US disclosed
EP-2213672-A1 NOVEL COMPOUND HAVING AFFINITY FOR AMYLOID Nihon Medi-Physics Co., Ltd. (JP) 2010-08-04 — — EP 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-20100249418-A1 NOVEL COMPOUND HAVING AFFINITY FOR AMYLOID APP, APBA1, C1QBP HRH3 21/4885CYP11B1 2794/4885CYP11B2 3185/4885

“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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