SCHEMBL20435495

SCHEMBL20435495

CCCCCCCCCCn1cc(-c2cc3ccccc3oc2=O)nn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 1/20 0.51
▸ ALDH1A1 P00352 6/20 0.49
▸ NPC1 O15118 5/20 0.49
▸ RAB9A P51151 5/20 0.49
▸ MAPT P10636 3/20 0.49
▸ LMNA P02545 2/20 0.49
▸ PKM P14618 1/20 0.49
▸ KDM4E B2RXH2 3/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ NFKB1 P19838 1/20 0.48
▸ NFKB2 Q00653 1/20 0.48
▸ RELA Q04206 1/20 0.48
▸ TP53 P04637 5/20 0.47
▸ HPGD P15428 2/20 0.47
▸ SIRT2 Q8IXJ6 2/20 0.47
▸ SIRT1 Q96EB6 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ TSHR P16473 1/20 0.47

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
SCHEMBL20435496 1.00 SRC (0.51) SRCALDH1A1NPC1RAB9AMAPT
SCHEMBL20435500 1.00 SRC (0.51) SRCALDH1A1NPC1RAB9AMAPT
SCHEMBL17856928 0.84 SRC (0.54) SRCALDH1A1NPC1RAB9AMAPT
SCHEMBL20435497 0.79 SRC (0.57) SRCALDH1A1NPC1RAB9AMAPT
SCHEMBL11711313 0.74 RAB9A (0.55) SRCALDH1A1NPC1RAB9AMAPT
SCHEMBL11499674 0.72 ALDH1A1 (0.57) SRCALDH1A1NPC1RAB9AMAPT
SCHEMBL11712359 0.72 RAB9A (0.52) SRCALDH1A1NPC1RAB9AMAPT
SCHEMBL4224259 0.71 HDAC8 (0.61) NPC1RAB9AL3MBTL1
SCHEMBL16271201 0.71 HDAC8 (0.61) NPC1RAB9AL3MBTL1
SCHEMBL2189376 0.71 HDAC8 (0.61) NPC1RAB9AL3MBTL1

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-20180214430-A1 Selective Inhibitors Of i-NOS For Use Against Viral Infection UCL BUSINESS PLC (GB) 2018-08-02 — — US disclosed
US-20180214430-A1 Selective Inhibitors Of i-NOS For Use Against Viral Infection UCL BUSINESS PLC (GB) 2018-08-02 — — 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-20180214430-A1 Selective Inhibitors Of i-NOS For Use Against Viral Infection NOS2, NOS1, NOS3 SRC 3063/4885ALDH1A1 1701/4885NPC1 622/4885

“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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