SCHEMBL21392923

SCHEMBL21392923

O=C(CCl)N1N=C(c2ccccc2)CC1c1cccc2nccnc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ YAP1 P46937 6/20 0.63
▸ TEAD4 Q15561 6/20 0.63
▸ MAOB P27338 4/20 0.50
▸ MAOA P21397 3/20 0.50
▸ RNF114 Q9Y508 1/20 0.49
▸ NPSR1 Q6W5P4 2/20 0.47
▸ TERT O14746 1/20 0.47
▸ RXRA P19793 1/20 0.47
▸ RXRB P28702 1/20 0.47
▸ RXRG P48443 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ TEAD2 Q15562 1/20 0.46

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
SCHEMBL31574540 0.83 RXRA (0.60) MAOBMAOARXRARXRBRXRG
SCHEMBL21392773 0.78 YAP1 (1.00) YAP1TEAD4MAOBMAOARNF114
SCHEMBL30688878 0.71 RNF114 (0.88) YAP1TEAD4RNF114KMT2A
SCHEMBL25542768 0.69 YAP1 (0.85) YAP1TEAD4MAOBMAOANPSR1
SCHEMBL14659832 0.69 KMT2A (0.69) YAP1TEAD4NPSR1MEN1KMT2A
SCHEMBL21392919 0.68 YAP1 (0.83) YAP1TEAD4MAOBMAOARNF114
SCHEMBL28205908 0.66 NPSR1 (0.74) MAOBMAOANPSR1MEN1KMT2A
SCHEMBL27918012 0.66 MAOB (0.64) MAOBMAOANPSR1MEN1KMT2A
SCHEMBL12857635 0.65 HTT (0.73) YAP1TEAD4MAOBKMT2A
SCHEMBL23052172 0.65 POLB (0.76) YAP1TEAD4MAOANPSR1RXRA

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 YAP1 1622/4885TEAD4 1748/4885MAOB 3325/4885
US-20210369731-A1 COVALENT TARGETING OF E3 LIGASES RNF114, RNF4, RNF168 YAP1 383/4885TEAD4 1187/4885MAOB 4196/4885
US-11666661-B2 Methods and compounds for targeted autophagy ATG7, BECN1, SQSTM1 YAP1 1622/4885TEAD4 1748/4885MAOB 3325/4885

“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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