SCHEMBL21392920

SCHEMBL21392920

O=C(CCl)N1N=C(c2ccco2)CC1c1cccc(Cl)c1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.69
▸ POLB P06746 2/20 0.69
▸ NCOA3 Q9Y6Q9 2/20 0.69
▸ NCOA1 Q15788 1/20 0.69
▸ ALDH1A1 P00352 2/20 0.64
▸ LMNA P02545 2/20 0.64
▸ MITF O75030 1/20 0.64
▸ PKM P14618 1/20 0.64
▸ HTT P42858 1/20 0.64
▸ SMN1; SMN2 Q16637 1/20 0.64
▸ NOD2 Q9HC29 1/20 0.64
▸ YAP1 P46937 3/20 0.57
▸ TEAD4 Q15561 3/20 0.57
▸ NPC1 O15118 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.53
▸ XDH P47989 1/20 0.52
▸ P2RY6 Q15077 1/20 0.51
▸ TEAD2 Q15562 1/20 0.51

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
SCHEMBL21393103 0.79 YAP1 (0.78) RAB9APOLBNCOA3NCOA1ALDH1A1
SCHEMBL22387595 0.76 RAB9A (0.72) RAB9APOLBNCOA3NCOA1ALDH1A1
SCHEMBL23052349 0.73 POLB (0.66) POLBALDH1A1LMNAPKMXDH
SCHEMBL21392773 0.70 YAP1 (1.00) POLBYAP1TEAD4
SCHEMBL16740601 0.70 PTGS2 (0.61) POLBALDH1A1
SCHEMBL14540778 0.69 ALDH1A1 (0.56) POLBALDH1A1XDH
SCHEMBL23052458 0.68 ALDH1A1 (0.80) RAB9AALDH1A1HTTSMN1; SMN2NPC1
SCHEMBL23268895 0.67 ALDH1A1 (0.64) ALDH1A1XDH
SCHEMBL14540723 0.67 ALDH1A1 (0.57) POLBALDH1A1LMNAHTTXDH
SCHEMBL23052089 0.67 KMT2A (0.71) ALDH1A1LMNAXDH

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-11666661-B2 Methods and compounds for targeted autophagy THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-06-06 — — US disclosed
US-11666661-B2 Methods and compounds for targeted autophagy THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-06-06 — — US disclosed
US-20210369731-A1 COVALENT TARGETING OF E3 LIGASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2021-12-02 — — US disclosed
US-20190290778-A1 METHODS AND COMPOUNDS FOR TARGETED AUTOPHAGY FRONTIER MEDICINES CORPORATION 2019-09-26 — — 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 (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-20190290778-A1 METHODS AND COMPOUNDS FOR TARGETED AUTOPHAGY ATG7, BECN1, SQSTM1 RAB9A 223/4885POLB 2880/4885NCOA3 893/4885
US-20210369731-A1 COVALENT TARGETING OF E3 LIGASES RNF114, RNF4, RNF168 RAB9A 2224/4885POLB 3939/4885NCOA3 686/4885
US-11666661-B2 Methods and compounds for targeted autophagy ATG7, BECN1, SQSTM1 RAB9A 223/4885POLB 2880/4885NCOA3 893/4885

“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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