SCHEMBL7602428

SCHEMBL7602428

N#CCCN(CCC#N)c1ccc(N(c2ccc(N(CCC#N)CCC#N)cc2)c2ccc(N(CCC#N)CCC#N)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
ALDH1A1 P00352 6/20 0.38
USP2 O75604 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HTT P42858 1/20 0.37
MAPK1 P28482 1/20 0.36
HPGD P15428 1/20 0.36
NPC1 O15118 2/20 0.35
LMNA P02545 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CRHR1 P34998 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
DRD3 P35462 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
SCHEMBL20207415 1.00 TSHR (0.40) TSHRALDH1A1USP2HSD17B10HTT
SCHEMBL20207409 0.92 TSHR (0.36) TSHRALDH1A1USP2HSD17B10HTT
SCHEMBL3117019 0.87 TSHR (0.36) TSHRALDH1A1USP2HSD17B10HTT
SCHEMBL2005077 0.87 TSHR (0.36) TSHRALDH1A1USP2HSD17B10HTT
SCHEMBL12237636 0.86 TSHR (0.33) TSHRALDH1A1USP2HSD17B10HTT
SCHEMBL6020194 0.85 MLYCD (0.37) TSHRALDH1A1USP2HSD17B10HTT
SCHEMBL11052250 0.83 ALDH1A1 (0.51) TSHRALDH1A1USP2HSD17B10HTT
SCHEMBL22620083 0.83 ALDH1A1 (0.41) TSHRALDH1A1USP2HSD17B10HTT
SCHEMBL809584 0.83 PPARG (0.39) TSHRALDH1A1USP2HSD17B10HTT
SCHEMBL11054024 0.83 ALDH1A1 (0.44) TSHRALDH1A1HSD17B10HTTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9069245-B2 Near-infrared absorptive layer-forming composition and multilayer film SHIN-ETSU CHEMICAL CO., LTD. (JP) 2015-06-30 US disclosed
US-8722307-B2 Near-infrared absorptive layer-forming composition and multilayer film comprising near-infrared absorptive layer INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2014-05-13 US disclosed
US-8323536-B2 Near-infrared absorbing dye, near-infrared absorptive film-forming composition, and near-infrared absorptive film SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-12-04 US disclosed
US-20120301828-A1 NEAR-INFRARED ABSORPTIVE LAYER-FORMING COMPOSITION AND MULTILAYER FILM COMPRISING NEAR-INFRARED ABSORPTIVE LAYER INTERNATIONAL BUSINESS MACHINES CORPORATION 2012-11-29 US disclosed
US-20120119171-A1 NEAR-INFRARED ABSORBING DYE, NEAR-INFRARED ABSORPTIVE FILM-FORMING COMPOSITION, AND NEAR-INFRARED ABSORPTIVE FILM SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-05-17 US disclosed
US-20110262862-A1 NEAR-INFRARED ABSORPTIVE LAYER-FORMING COMPOSITION AND MULTILAYER FILM SHIN-ETSU CHEMICAL CO., LTD. (JP) 2011-10-27 US disclosed
US-20110262863-A1 NEAR-INFRARED ABSORPTIVE LAYER-FORMING COMPOSITION AND MULTILAYER FILM INTERNATIONAL BUSINESS MACHINES CORPORATION 2011-10-27 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-20120119171-A1 NEAR-INFRARED ABSORBING DYE, NEAR-INFRARED ABSORPTIVE FILM-FORMING COMPOSITION, AND NEAR-INFRARED ABSORPTIVE FILM SLCO2A1, SLC39A3, SLCO2B1 TSHR 966/4885ALDH1A1 1150/4885USP2 3019/4885

“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.