SCHEMBL1970685

SCHEMBL1970685

COC(=O)C(CCCCl)c1ccc(Br)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.37
▸ NPC1 O15118 2/20 0.36
▸ TSHR P16473 2/20 0.35
▸ S1PR2 O95136 2/20 0.35
▸ S1PR4 O95977 2/20 0.35
▸ S1PR3 Q99500 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ PKM P14618 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ ALOX12 P18054 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SIRT2 Q8IXJ6 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33

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
SCHEMBL1965385 0.83 KDM4E (0.41) RAB9ANPC1TSHRS1PR2S1PR4
SCHEMBL1966465 0.80 L3MBTL1 (0.45) ALDH1A1MAPTPKMHPGDALOX12
SCHEMBL1966580 0.79 RAB9A (0.41) RAB9ANPC1S1PR3ALDH1A1MAPT
SCHEMBL17479509 0.78 RAB9A (0.35) RAB9ANPC1TSHRS1PR2S1PR4
SCHEMBL31082813 0.78 RAB9A (0.35) RAB9ANPC1TSHRS1PR2S1PR4
SCHEMBL17295745 0.77 RAB9A (0.39) RAB9ANPC1TSHRALDH1A1SIRT2
SCHEMBL17477792 0.77 MEN1 (0.45) RAB9ANPC1ALDH1A1HSD17B10MEN1
SCHEMBL9976635 0.77 ALDH1A1 (0.41) RAB9ANPC1S1PR2S1PR4S1PR3
SCHEMBL17479470 0.76 RAB9A (0.36) RAB9ANPC1TSHRALDH1A1MAPT
SCHEMBL19874404 0.75 RAB9A (0.43) RAB9ANPC1ALDH1A1KMT2AHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8202866-B2 Ortho-aminoanilides for the treatment of cancer HOFFMANN-LA ROCHE INC. (US) 2012-06-19 — — US disclosed
US-8202866-B2 Ortho-aminoanilides for the treatment of cancer HOFFMANN-LA ROCHE INC. (US) 2012-06-19 — — US disclosed
US-8202866-B2 Ortho-aminoanilides for the treatment of cancer HOFFMANN-LA ROCHE INC. (US) 2012-06-19 — — US disclosed
EP-2334658-A2 ORTHO-AMINOANILIDES FOR THE TREATMENT OF CANCER F. Hoffmann-La Roche AG (CH) 2011-06-22 — — EP disclosed
WO-2010031708-A2 NOVEL ORTHO-AMINOANILIDES FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2010-03-25 — — WO disclosed
WO-2010031708-A2 NOVEL ORTHO-AMINOANILIDES FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2010-03-25 — — WO disclosed
US-20100069328-A1 NOVEL ORTHO-AMINOANILIDES FOR THE TREATMENT OF CANCER HOFFMANN-LA ROCHE, INC. 2010-03-18 — — US disclosed
US-20100069328-A1 NOVEL ORTHO-AMINOANILIDES FOR THE TREATMENT OF CANCER HOFFMANN-LA ROCHE, INC. 2010-03-18 — — US disclosed
US-20100069328-A1 NOVEL ORTHO-AMINOANILIDES FOR THE TREATMENT OF CANCER HOFFMANN-LA ROCHE, INC. 2010-03-18 — — 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-20100069328-A1 NOVEL ORTHO-AMINOANILIDES FOR THE TREATMENT OF CANCER IL4I1, MKI67, ABL1 RAB9A 1700/4885NPC1 3605/4885TSHR 3771/4885

“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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