SCHEMBL22387595

SCHEMBL22387595

O=C(CCl)N1N=C(c2ccco2)CC1c1cc2ccccc2o1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.72
▸ POLB P06746 3/20 0.72
▸ NCOA3 Q9Y6Q9 2/20 0.72
▸ NCOA1 Q15788 1/20 0.72
▸ ALDH1A1 P00352 3/20 0.61
▸ LMNA P02545 3/20 0.61
▸ MITF O75030 2/20 0.61
▸ HTT P42858 2/20 0.61
▸ NOD2 Q9HC29 2/20 0.61
▸ PKM P14618 1/20 0.61
▸ SMN1; SMN2 Q16637 1/20 0.61
▸ NPC1 O15118 3/20 0.59
▸ TERT O14746 2/20 0.57
▸ TDP1 Q9NUW8 1/20 0.55
▸ YAP1 P46937 3/20 0.54
▸ TEAD4 Q15561 3/20 0.54
▸ TEAD2 Q15562 1/20 0.53
▸ KDM4E B2RXH2 3/20 0.52
▸ MAPT P10636 2/20 0.52
▸ NPSR1 Q6W5P4 2/20 0.52

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
SCHEMBL21392920 0.76 RAB9A (0.69) RAB9APOLBNCOA3NCOA1ALDH1A1
SCHEMBL21393103 0.70 YAP1 (0.78) RAB9APOLBNCOA3NCOA1ALDH1A1
SCHEMBL21392773 0.64 YAP1 (1.00) POLBTERTYAP1TEAD4MAPT
SCHEMBL23052120 0.63 ALDH1A1 (0.57) RAB9APOLBNCOA3NCOA1ALDH1A1
SCHEMBL14541215 0.63 ALDH1A1 (0.55) RAB9APOLBNCOA3NCOA1ALDH1A1
SCHEMBL24767745 0.63 P2RY6 (1.00) POLBALDH1A1LMNAPKMSMN1; SMN2
SCHEMBL23052349 0.62 POLB (0.66) POLBALDH1A1LMNAPKMKDM4E
SCHEMBL23268895 0.61 ALDH1A1 (0.64) ALDH1A1
SCHEMBL23052458 0.61 ALDH1A1 (0.80) RAB9AALDH1A1HTTSMN1; SMN2NPC1
SCHEMBL11333537 0.61 TDP1 (0.57) RAB9APOLBNCOA3NCOA1ALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200278355-A1 CONJUGATED PROTEINS AND USES THEREOF SCRIPPS RESEARCH INST (US) 2020-09-03 — — 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-20200278355-A1 CONJUGATED PROTEINS AND USES THEREOF KEAP1, GSTK1, GSTM2 RAB9A 2876/4885POLB 3140/4885NCOA3 73/4885

“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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