SCHEMBL14769042

SCHEMBL14769042

CN1Cc2ccccc2CO1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.46
MAOB P27338 2/20 0.46
HSD17B3 P37058 2/20 0.41
NOTUM Q6P988 2/20 0.40
ALDH1A1 P00352 4/20 0.39
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPT P10636 2/20 0.38
DRD2 P14416 1/20 0.37
DRD1 P21728 1/20 0.37
DRD4 P21917 1/20 0.37
DRD5 P21918 1/20 0.37
DRD3 P35462 1/20 0.37
RXFP1 Q9HBX9 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL11690746 0.77 MAOA (0.54) MAOAMAOBHSD17B3NOTUMSMN1; SMN2
SCHEMBL16229965 0.74 HSD17B3 (0.36) MAOAMAOBHSD17B3NOTUMALDH1A1
SCHEMBL13976110 0.74 NPC1 (0.39) MAOAMAOBHSD17B3NOTUMALDH1A1
SCHEMBL13966515 0.74 HSD17B3 (0.37) MAOAMAOBHSD17B3NOTUMALDH1A1
SCHEMBL14908527 0.73 TIPARP (0.38) SMN1; SMN2CYP1A2CYP2D6CYP2C19DRD2
SCHEMBL14908532 0.73 SIGMAR1 (0.41)
SCHEMBL11776394 0.71 NOTUM (0.55) HSD17B3NOTUMNPC1RAB9A
SCHEMBL14908525 0.71 TIPARP (0.38) SMN1; SMN2CYP1A2CYP2D6CYP2C19DRD2
SCHEMBL130712 0.71 MAOA (0.71) MAOAMAOBNOTUMALDH1A1HPGD
SCHEMBL14573056 0.71 MAOA (0.56) MAOAMAOBNOTUMALDH1A1HPGD

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3501546-A2 CYSTEINE DRUG CONJUGATES AND USE OF SAME Seattle Genetics, Inc. (US) 2019-06-26 EP disclosed
EP-2928503-B1 CONJUGATES OF AURISTATIN COMPOUNDS MERSANA THERAPEUTICS INC (US) 2019-02-20 EP disclosed
EP-2770977-B1 NOVEL DOSAGE FORM NEUROVIVE PHARMACEUTICAL AB (SE) 2017-07-12 EP disclosed
US-9504728-B2 Dosage form NEUROVIVE PHARMACEUTICAL AB (SE) 2016-11-29 US disclosed
US-20160193359-A1 NEW BINDER-DRUG CONJUGATES (ADCS) AND USE THEREOF SEATTLE GENETICS, INC. (US) 2016-07-07 US disclosed
US-20150314008-A1 AURISTATIN COMPOUNDS AND CONJUGATES THEREOF MERSANA THERAPEUTICS, INC. 2015-11-05 US disclosed
US-9139613-B2 Macrocyclic compounds and methods for their production NEUROVIVE PHARMACEUTICAL AB (SE) 2015-09-22 US disclosed
US-20150246136-A1 NOVEL BINDER-DRUG CONJUGATES (ADCs) AND USE OF SAME SEATTLE GENETICS, INC. (US) 2015-09-03 US disclosed
US-20150246136-A1 NOVEL BINDER-DRUG CONJUGATES (ADCs) AND USE OF SAME SEATTLE GENETICS, INC. (US) 2015-09-03 US disclosed
US-9119853-B2 Sanglifehrin based compounds NEUROVIVE PHARMACEUTICAL AB (SE) 2015-09-01 US disclosed
US-20150023989-A1 NEW ANTIBODY DRUG CONJUGATES (ADCS) AND THE USE THEREOF SEATTLE GENETICS, INC. 2015-01-22 US disclosed
US-20140234414-A1 Novel Dosage Form Abliva Ab (SE) 2014-08-21 US disclosed
US-8722629-B2 Auristatin derivatives and use thereof SEATTLE GENETICS, INC. (US) 2014-05-13 US disclosed
US-20140127240-A1 Novel Binder-Drug Conjugates (ADCs) and Use of Same BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-05-08 US disclosed
US-20140038885-A1 Macrocyclic Compounds and Methods for Their Production NEUROVIVE PHARMACEUTICAL AB (SE) 2014-02-06 US disclosed
US-20130157960-A1 NOVEL AURISTATIN DERIVATIVES AND USE THEREOF SEATTLE GENETICS, INC. (US) 2013-06-20 US disclosed
US-20130122024-A1 NEW BINDER-DRUG CONJUGATES (ADCS) AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-16 US disclosed
WO-2013061052-A1 NOVEL DOSAGE FORM BIOTICA TECHNOLOGY LIMITED (GB) 2013-05-02 WO disclosed
US-20130095123-A1 New binder-drug conjugates (ADCs) and use thereof Bayer Pharma AG (DE) 2013-04-18 US disclosed
US-20130066055-A1 NEW BINDER-DRUG CONJUGATES (ADCS) AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-03-14 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 (11 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-20130122024-A1 NEW BINDER-DRUG CONJUGATES (ADCS) AND USE THEREOF MDN1, EPCAM, VCAM1 MAOA 3091/4885MAOB 2627/4885HSD17B3 4393/4885
US-20140234414-A1 Novel Dosage Form SI, RAB10, SAMM50 MAOA 1628/4885MAOB 2191/4885HSD17B3 3532/4885
US-20130066055-A1 NEW BINDER-DRUG CONJUGATES (ADCS) AND USE THEREOF CDK4, CDKL4, FLT4 MAOA 3378/4885MAOB 2826/4885HSD17B3 3846/4885
US-20160193359-A1 NEW BINDER-DRUG CONJUGATES (ADCS) AND USE THEREOF CDK4, CDKL4, FLT4 MAOA 3378/4885MAOB 2826/4885HSD17B3 3846/4885
US-20150023989-A1 NEW ANTIBODY DRUG CONJUGATES (ADCS) AND THE USE THEREOF FGFR2, FGFR1, FGFR3 MAOA 3094/4885MAOB 2765/4885HSD17B3 3075/4885
US-20140127240-A1 Novel Binder-Drug Conjugates (ADCs) and Use of Same DDR1, IGFBP6, KDR MAOA 3777/4885MAOB 3457/4885HSD17B3 4278/4885
US-20150246136-A1 NOVEL BINDER-DRUG CONJUGATES (ADCs) AND USE OF SAME DDR1, IGFBP6, KDR MAOA 3777/4885MAOB 3457/4885HSD17B3 4278/4885
US-20130095123-A1 New binder-drug conjugates (ADCs) and use thereof CDK4, CDKL4, FLT4 MAOA 3378/4885MAOB 2826/4885HSD17B3 3846/4885
US-20150314008-A1 AURISTATIN COMPOUNDS AND CONJUGATES THEREOF PBRM1, BRWD1, BRDT MAOA 3996/4885MAOB 3901/4885HSD17B3 4654/4885
US-20140038885-A1 Macrocyclic Compounds and Methods for Their Production HAVCR2, RPL35, CD4 MAOA 2143/4885MAOB 2056/4885HSD17B3 652/4885
US-20130157960-A1 NOVEL AURISTATIN DERIVATIVES AND USE THEREOF AURKC, AURKA, AURKB MAOA 3035/4885MAOB 2799/4885HSD17B3 3823/4885

“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.