SCHEMBL21036815

SCHEMBL21036815

CC1=N/C(=C/c2cc3ccc(N(C)CCO)cc3s2)C(=O)N1C

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CYBB P04839 11/20 0.37
▸ NOX4 Q9NPH5 11/20 0.37
▸ MAPT P10636 1/20 0.32
▸ AKR1B1 P15121 1/20 0.32
▸ ACKR3 P25106 1/20 0.32
▸ CCR5 P51681 1/20 0.32
▸ APP P05067 1/20 0.31
▸ NOX1 Q9Y5S8 1/20 0.30

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
SCHEMBL21037413 0.85 L3MBTL1 (0.41) CYBBNOX4MAPTAKR1B1
SCHEMBL24982172 0.82 AKR1B1 (0.47) CYBBNOX4MAPTAKR1B1APP
SCHEMBL24981920 0.79 CYBB (0.51) CYBBNOX4MAPTAKR1B1ACKR3
SCHEMBL21234672 0.79 — —
SCHEMBL21234737 0.78 — —
SCHEMBL21036814 0.76 CYP2A6 (0.44) CYBBNOX4MAPTAPPNOX1
SCHEMBL22314185 0.76 — —
SCHEMBL24991998 0.75 GSK3B (0.56) CYBBNOX4AKR1B1
SCHEMBL24991995 0.73 CRHBP (0.46) MAPT
SCHEMBL21234675 0.73 KMT2A (0.36) CYBBNOX4MAPTAKR1B1

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-11209437-B2 Fluorescent probe and preparation method and use thereof FLUORESCENCE DIAGNOSIS (SHANGHAI) BIOTECH COMPANY (CN) 2021-12-28 — — US disclosed
US-20200248069-A1 FLUORESCENT PROBE, PREPARATION METHOD THEREFOR AND USE THEREOF EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2020-08-06 — — US disclosed
US-20190187144-A1 FLUORESCENT PROBE AND PREPARATION METHOD AND USE THEREOF EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2019-06-20 — — US disclosed
EP-3489324-A1 FLUORESCENT PROBE AND PREPARATION METHOD AND USE THEREOF East China University of Science and Technology (CN) 2019-05-29 — — 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 (3 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-20190187144-A1 FLUORESCENT PROBE AND PREPARATION METHOD AND USE THEREOF HNRNPF, HNRNPUL2, RAB5IF CYBB 3632/4885NOX4 4489/4885MAPT 2624/4885
US-20200248069-A1 FLUORESCENT PROBE, PREPARATION METHOD THEREFOR AND USE THEREOF WASF2, FAM162A, HASPIN CYBB 3571/4885NOX4 4451/4885MAPT 3407/4885
US-11209437-B2 Fluorescent probe and preparation method and use thereof HNRNPF, HNRNPUL2, RAB5IF CYBB 3632/4885NOX4 4489/4885MAPT 2624/4885

“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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