SCHEMBL11499674

SCHEMBL11499674

O=c1oc2ccccc2cc1-c1cn(-c2ccccc2)nn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 15/20 0.57
▸ KDM4E B2RXH2 13/20 0.57
▸ HPGD P15428 7/20 0.57
▸ HSD17B10 Q99714 5/20 0.56
▸ PKM P14618 4/20 0.56
▸ TSHR P16473 3/20 0.56
▸ GALR3 O60755 1/20 0.55
▸ RAB9A P51151 9/20 0.53
▸ NPC1 O15118 8/20 0.53
▸ MAPT P10636 6/20 0.53
▸ LMNA P02545 4/20 0.53
▸ MAOB P27338 1/20 0.52
▸ SMN1; SMN2 Q16637 4/20 0.50
▸ CASP1 P29466 3/20 0.50
▸ CASP7 P55210 3/20 0.50
▸ TP53 P04637 3/20 0.50
▸ GAA P10253 2/20 0.50
▸ MDM4 O15151 1/20 0.50
▸ MDM2 Q00987 1/20 0.50
▸ USP2 O75604 1/20 0.50

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
SCHEMBL11711313 0.81 RAB9A (0.55) ALDH1A1KDM4EHPGDHSD17B10PKM
SCHEMBL11499105 0.81 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDHSD17B10PKM
SCHEMBL11874765 0.80 ALDH1A1 (0.58) ALDH1A1KDM4EHPGDHSD17B10PKM
SCHEMBL20435497 0.79 SRC (0.57) ALDH1A1KDM4EHPGDHSD17B10PKM
SCHEMBL11712359 0.78 RAB9A (0.52) ALDH1A1KDM4EHPGDHSD17B10PKM
Hydrochloric Acid SCHEMBL11712212 0.77 RAB9A (0.51) ALDH1A1KDM4EHPGDHSD17B10PKM
SCHEMBL3550958 0.76 SRC (0.52) ALDH1A1KDM4EHPGDHSD17B10PKM
SCHEMBL17856928 0.76 SRC (0.54) ALDH1A1KDM4EHPGDHSD17B10PKM
SCHEMBL13315785 0.75 RAB9A (0.44) ALDH1A1KDM4EHPGDHSD17B10PKM
SCHEMBL20435499 0.75 MAOB (0.51) ALDH1A1KDM4EHPGDHSD17B10PKM

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 4 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
US-4229579-A OPTICAL BRIGHTENERS BAYER AKTIENGESELLSCHAFT (DE) 1980-10-21 — — US disclosed
US-4144243-A OPTICAL BRIGHTENERS FOR TEXTILES AND LACQUEARS BAYER AKTIENGESELLSCHAFT (DE) 1979-03-13 — — 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-20180214430-A1 Selective Inhibitors Of i-NOS For Use Against Viral Infection NOS2, NOS1, NOS3 ALDH1A1 1701/4885KDM4E 3628/4885HPGD 146/4885

“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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