SCHEMBL9939020

SCHEMBL9939020

Cc1ccc(NC(=O)Nc2cccc(CBr)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 10/20 0.61
▸ NPC1 O15118 9/20 0.61
▸ SAE1 Q9UBE0 1/20 0.60
▸ UBA2 Q9UBT2 1/20 0.60
▸ SMN1; SMN2 Q16637 7/20 0.54
▸ KDR P35968 1/20 0.52
▸ HPSE Q9Y251 1/20 0.51
▸ KMT2A Q03164 5/20 0.50
▸ MEN1 O00255 4/20 0.50
▸ TP53 P04637 2/20 0.50
▸ PKM P14618 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ CNR1 P21554 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ MAPT P10636 3/20 0.49
▸ POLB P06746 1/20 0.49

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
SCHEMBL16920261 0.86 RAB9A (0.63) RAB9ANPC1SAE1UBA2SMN1; SMN2
SCHEMBL4105876 0.86 RAB9A (0.63) RAB9ANPC1SAE1UBA2SMN1; SMN2
SCHEMBL12711075 0.84 RAB9A (0.77) RAB9ANPC1SAE1UBA2SMN1; SMN2
SCHEMBL5852140 0.80 SAE1 (0.76) RAB9ANPC1SAE1UBA2SMN1; SMN2
SCHEMBL2722098 0.80 MAPT (0.49) RAB9ANPC1SMN1; SMN2HPSEKMT2A
SCHEMBL1818695 0.79 NPSR1 (0.61) RAB9ASMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL10877860 0.79 HPGD (0.53) RAB9ANPC1KMT2AMEN1HPGD
SCHEMBL28311394 0.79 RAB9A (0.51) RAB9ANPC1SMN1; SMN2HPSEKMT2A
SCHEMBL22588913 0.78 NPC1 (0.69) RAB9ANPC1SAE1UBA2SMN1; SMN2
SCHEMBL9167080 0.77 FAAH (0.54) RAB9ANPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10059659-B2 Enantiomerically pure binaphthol derivatives and method for preparing the same AMINOLOGICS CO. LTD. (KR) 2018-08-28 — — US disclosed
EP-2651879-B1 ENANTIOMERICALLY PURE BINAPHTHOL DERIVATIVES AND METHOD FOR PREPARING THE SAME AMINOLOGICS CO LTD (KR) 2018-03-07 — — EP disclosed
US-20140012038-A1 ENANTIOMERICALLY PURE BINAPHTHOL DERIVATIVES AND METHOD FOR PREPARING THE SAME AMINOLOGICS CO., LTD. (KR) 2014-01-09 — — US disclosed
EP-2651879-A2 ENANTIOMERICALLY PURE BINAPHTHOL DERIVATIVES AND METHOD FOR PREPARING THE SAME Aminologics Co., Ltd (KR) 2013-10-23 — — EP disclosed
WO-2012081885-A2 ENANTIOMERICALLY PURE BINAPHTHOL DERIVATIVES AND METHOD FOR PREPARING THE SAME AMINOLUX, INC. (KR) 2012-06-21 — — 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 (2 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-10059659-B2 Enantiomerically pure binaphthol derivatives and method for preparing the same ALDH1A1, ALDH7A1, ALDH3A1 RAB9A 2612/4885NPC1 1105/4885SAE1 1096/4885
US-20140012038-A1 ENANTIOMERICALLY PURE BINAPHTHOL DERIVATIVES AND METHOD FOR PREPARING THE SAME ALDH1A1, ALDH7A1, ALDH3A1 RAB9A 2612/4885NPC1 1105/4885SAE1 1096/4885

“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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