SCHEMBL9736987

SCHEMBL9736987

NCCn1nnc2ccccc21

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 9/20 0.68
MAPT P10636 3/20 0.64
NPC1 O15118 3/20 0.64
RAB9A P51151 3/20 0.64
GLA P06280 1/20 0.62
TSHR P16473 1/20 0.62
EGLN3 Q9H6Z9 2/20 0.60
KDM4E B2RXH2 1/20 0.58
GRM2 Q14416 1/20 0.58
TDP1 Q9NUW8 1/20 0.53
MEN1 O00255 1/20 0.53
LMNA P02545 1/20 0.53
KMT2A Q03164 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
KEAP1 Q14145 1/20 0.52
ALDH1A1 P00352 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 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
SCHEMBL7011474 0.89 SLC9A1 (0.70) SLC9A1MAPTNPC1RAB9AGLA
SCHEMBL6850915 0.87 SLC9A1 (0.71) SLC9A1MAPTNPC1RAB9AGLA
SCHEMBL21052131 0.86 SLC9A1 (0.71) SLC9A1MAPTNPC1RAB9AGLA
SCHEMBL18977498 0.85 SLC9A1 (0.68) SLC9A1MAPTNPC1RAB9AGLA
SCHEMBL251561 0.84 SLC9A1 (0.66) SLC9A1MAPTNPC1RAB9AGLA
SCHEMBL14796568 0.84 SLC9A1 (0.79) SLC9A1MAPTNPC1RAB9AGLA
SCHEMBL283896 0.81 SLC9A1 (1.00) SLC9A1MAPTNPC1RAB9AGLA
SCHEMBL2936169 0.81 SLC9A1 (0.68) SLC9A1MAPTNPC1RAB9AGLA
SCHEMBL5637028 0.81 SLC9A1 (0.80) SLC9A1MAPTNPC1RAB9AGLA
SCHEMBL4222242 0.81 SLC9A1 (0.68) SLC9A1MAPTNPC1RAB9AGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10723727-B2 Tubulysin analogs and methods for their preparation PFIZER INC. (US) 2020-07-28 US disclosed
US-9761828-B2 Laser welding transparent glass sheets using low melting glass or thin absorbing films CORNING INCORPORATED (US) 2017-09-12 US disclosed
WO-2017134547-A1 TUBULYSIN ANALOGS AND METHODS FOR THEIR PREPARATION PFIZER INC. (US) 2017-08-10 WO disclosed
US-9315690-B2 Aqueous pigment dispersions based on polyurethane dispersants having components to interact with cellulose E I DU PONT DE NEMOURS AND COMPANY (US) 2016-04-19 US disclosed
US-9062228-B2 Aqueous inkjet inks containing polyurethane binders with components to interact with cellulose E I DU PONT DE NEMOURS AND COMPANY (US) 2015-06-23 US disclosed
US-20150011703-A1 AQUEOUS PIGMENT DISPERSIONS BASED ON POLYURETHANE DISPERSANTS HAVING COMPONENTS TO INTERACT WITH CELLULOSE DUPONT ELECTRONICS, INC. 2015-01-08 US disclosed
EP-2798020-A2 AQUEOUS PIGMENT DISPERSIONS BASED ON POLYURETHANE DISPERSANTS HAVING COMPONENTS TO INTERACT WITH CELLULOSE E. I. Du Pont de Nemours and Company (US) 2014-11-05 EP disclosed
US-20130182032-A1 AQUEOUS INKJET INKS CONTAINING POLYURETHANE BINDERS WITH COMPONENTS TO INTERACT WITH CELLULOSE E I DU PONT DE NEMOURS AND COMPANY (US) 2013-07-18 US disclosed
WO-2013098652-A2 AQUEOUS PIGMENT DISPERSIONS BASED ON POLYURETHANE DISPERSANTS HAVING COMPONENTS TO INTERACT WITH CELLULOSE E. I. DU PONT DE NEMOURS AND COMPANY (US) 2013-07-04 WO disclosed
US-20110262351-A1 FLUORESCENT SILICA NANOPARTICLE WITH RADIOACTIVE TAG AND THE DETECTING METHOD OF PET AND FLUORESCENT DUAL IMAGING USING THEREOF THE INTELLECTUAL PROPERTY AND TECHNOLOGY LICENSING PROGRAM (SA) 2011-10-27 US disclosed
WO-2010053548-A2 PTHR1 RECEPTOR COMPOUNDS ANCHOR THERAPEUTICS, INC. (US) 2010-05-14 WO disclosed
US-20070213340-A1 Farnesyl protein transferase inhibitors SCHERING CORPORATION 2007-09-13 US disclosed
US-20070213340-A1 Farnesyl protein transferase inhibitors SCHERING CORPORATION 2007-09-13 US disclosed
WO-2007084498-A1 PIPERAZINE DERIVATIVES AS FARNESYL PROTEIN TRANSFERASE INHIBITORS SCHERING CORPORATION (US) 2007-07-26 WO disclosed
WO-1992021681-A1 NOVEL CEPHALOSPORINS AND PROCESSES FOR PREPARATION THEREOF DAE WONG PHARMACEUTICAL CO., LTD. (KR) 1992-12-10 WO disclosed
US-4895954-A Dyeing wool, cellulose HOECHST AKTIENGESELLSCHAFT (DE) 1990-01-23 US disclosed
US-4851542-A N1 -substituted 1H-benzytriazole hydroxyethyl sulfone compounds, a process for their preparation and their use for the preparation of dyestudds HOECHST AKTIENGESELLSCHAFT (DE) 1989-07-25 US disclosed
US-4816574-A FIBER-REACTIVE DYES FOR WOOL, CELLULOSE HOECHST AKTIENGESELLSCHAFT (DE) 1989-03-28 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 (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-20070213340-A1 Farnesyl protein transferase inhibitors FNTB, FNTA, FDPS SLC9A1 4454/4885MAPT 3135/4885NPC1 53/4885
US-10723727-B2 Tubulysin analogs and methods for their preparation NGLY1, TEK, TEKT1 SLC9A1 1750/4885MAPT 2931/4885NPC1 2492/4885

“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.