SCHEMBL17859587

SCHEMBL17859587

Cc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 9/20 0.66
ALDH1A1 P00352 5/20 0.66
RAB9A P51151 3/20 0.66
MEN1 O00255 3/20 0.66
KMT2A Q03164 3/20 0.66
HPGD P15428 2/20 0.66
NPC1 O15118 2/20 0.66
ATM Q13315 1/20 0.66
L3MBTL1 Q9Y468 2/20 0.61
NPSR1 Q6W5P4 3/20 0.55
CYP1A2 P05177 3/20 0.55
MAPT P10636 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
LMNA P02545 3/20 0.55
CYP3A4 P08684 2/20 0.55
TP53 P04637 1/20 0.55
ALOX15 P16050 1/20 0.55
NFKB1 P19838 1/20 0.55
HIF1A Q16665 1/20 0.55
GMNN O75496 1/20 0.55

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
SCHEMBL18612170 0.88 HTT (0.66) HTTALDH1A1RAB9AMEN1KMT2A
SCHEMBL24261118 0.88 HTT (0.73) HTTALDH1A1RAB9AMEN1KMT2A
SCHEMBL21471161 0.86 HTT (0.58) HTTALDH1A1RAB9AMEN1KMT2A
SCHEMBL6238201 0.85 HTT (0.61) HTTALDH1A1RAB9AMEN1KMT2A
SCHEMBL10677656 0.85 HTT (0.61) HTTALDH1A1RAB9AMEN1KMT2A
SCHEMBL8508099 0.85 HTT (0.66) HTTALDH1A1RAB9AMEN1KMT2A
SCHEMBL30909351 0.85 HTT (0.61) HTTALDH1A1RAB9AMEN1KMT2A
SCHEMBL21650358 0.83 ALDH1A1 (0.57) HTTALDH1A1RAB9AMEN1KMT2A
SCHEMBL21974448 0.81 ALDH1A1 (0.55) HTTALDH1A1RAB9AMEN1KMT2A
SCHEMBL18580814 0.81 ALDH1A1 (0.57) HTTALDH1A1RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11000033-B2 Ketone or oxime compound, and herbicide NISSAN CHEMICAL CORPORATION (JP) 2021-05-11 US disclosed
US-20190053488-A1 KETONE OR OXIME COMPOUND, AND HERBICIDE NISSAN CHEMICAL CORPORATION (JP) 2019-02-21 US disclosed
US-20170347647-A1 KETONE OR OXIME COMPOUND, AND HERBICIDE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-12-07 US disclosed
US-20170347647-A1 KETONE OR OXIME COMPOUND, AND HERBICIDE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-12-07 US disclosed
EP-3235799-A1 KETONE OR OXIME COMPOUND, AND HERBICIDE Nissan Chemical Industries, Ltd. (JP) 2017-10-25 EP disclosed
WO-2016098899-A1 KETONE OR OXIME COMPOUND, AND HERBICIDE 日産化学工業株式会社 2016-06-23 WO 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-11000033-B2 Ketone or oxime compound, and herbicide OR10J3, CYP1B1, CBR3 HTT 3162/4885ALDH1A1 493/4885RAB9A 698/4885
US-20190053488-A1 KETONE OR OXIME COMPOUND, AND HERBICIDE OR10J3, CYP1B1, CBR3 HTT 3224/4885ALDH1A1 517/4885RAB9A 667/4885
US-20170347647-A1 KETONE OR OXIME COMPOUND, AND HERBICIDE OR10J3, CYP1B1, CBR3 HTT 3224/4885ALDH1A1 517/4885RAB9A 667/4885

“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.