SCHEMBL3873515

SCHEMBL3873515

c1ccc2c(c1)nnn2-c1c[nH]nn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.53
TSHR P16473 2/20 0.53
KCNMA1 Q12791 1/20 0.49
SLC9A1 P19634 4/20 0.44
ALDH1A1 P00352 3/20 0.44
POLB P06746 2/20 0.44
MAPK1 P28482 1/20 0.44
ATM Q13315 1/20 0.44
KEAP1 Q14145 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44
THPO P40225 1/20 0.44
CYP4Z1 Q86W10 1/20 0.44
DGAT1 O75907 1/20 0.41
CCNE1 P24864 2/20 0.40
CDK2 P24941 2/20 0.40

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
SCHEMBL30355239 0.73 RAB9A (1.00) RAB9ASMN1; SMN2TSHRKCNMA1SLC9A1
SCHEMBL678640 0.73 RAB9A (1.00) RAB9ASMN1; SMN2TSHRKCNMA1SLC9A1
SCHEMBL12204565 0.72 SMN1; SMN2 (0.62) RAB9ASMN1; SMN2TSHRKCNMA1SLC9A1
SCHEMBL14066781 0.72 RAB9A (0.58) RAB9ASMN1; SMN2TSHRKCNMA1SLC9A1
SCHEMBL18797697 0.72 MKNK1 (0.38) ALDH1A1CYP1A2CCNE1CDK2MAPK8
SCHEMBL3148726 0.72 POLB (0.56) RAB9ATSHRALDH1A1POLBMAPK1
SCHEMBL12204569 0.71 RAB9A (0.56) RAB9ASMN1; SMN2TSHRKCNMA1SLC9A1
SCHEMBL165333 0.71 SMN1; SMN2 (0.71) RAB9ASMN1; SMN2TSHRKCNMA1SLC9A1
SCHEMBL8041631 0.70 SMN1; SMN2 (0.47) RAB9ASMN1; SMN2TSHRKCNMA1SLC9A1
SCHEMBL2124951 0.70 RAB9A (0.56) RAB9ASMN1; SMN2TSHRKCNMA1SLC9A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020057165-A1 SYNTHETIC INDUSTRIAL GEAR OIL COMPATIBLE WITH WATER-HOLDING PROPERTY AND PREPARATION METHOD THEREFOR 山东奇士登润滑科技有限公司 2020-03-26 WO claimed
US-20030220371-A1 Compounds and methods SMITHKLINE BEECHAM CORPORATION 2003-11-27 US claimed
EP-1274424-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2003-09-17 EP claimed
EP-1274424-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2003-01-15 EP claimed
WO-2001078723-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2001-10-25 WO claimed
WO-2020057165-A1 SYNTHETIC INDUSTRIAL GEAR OIL COMPATIBLE WITH WATER-HOLDING PROPERTY AND PREPARATION METHOD THEREFOR 山东奇士登润滑科技有限公司 2020-03-26 WO disclosed
CN-106611802-B A kind of E-film for solar back panel material 中天光伏材料有限公司 2018-05-04 CN disclosed
EP-2045318-A1 Cleaning agent for semiconductor device and cleaning method using the same FUJIFILM Corporation (JP) 2009-04-08 EP disclosed
US-20090088361-A1 CLEANING AGENT FOR SEMICONDUCTOR DEVICE AND CLEANING METHOD USING THE SAME FUJIFILM CORPORATION (JP) 2009-04-02 US disclosed
CN-101397528-A Cleaning agent for semiconductor device and cleaning method using the same FUJIFILM CORP (JP) 2009-04-01 CN disclosed
US-20050004116-A1 1H-1,2,3-triazol-4-yl derivatives; antiangiogenesis agents SMITHKLINE BEECHAM CORPORATION 2005-01-06 US disclosed
US-20030220371-A1 Compounds and methods SMITHKLINE BEECHAM CORPORATION 2003-11-27 US disclosed
EP-1274424-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2003-09-17 EP disclosed
EP-1274424-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2003-01-15 EP disclosed
WO-2001078723-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2001-10-25 WO disclosed
US-5011711-A Coating with water soluble material and fluorine compound; drying TOYO KOHAN CO., LTD. (JP) 1991-04-30 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 (3 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-20090088361-A1 CLEANING AGENT FOR SEMICONDUCTOR DEVICE AND CLEANING METHOD USING THE SAME AOC1, SPIN1, USP1 RAB9A 4509/4885SMN1; SMN2 1783/4885TSHR 2290/4885
US-20050004116-A1 1H-1,2,3-triazol-4-yl derivatives; antiangiogenesis agents METAP1, METAP2, DNPEP RAB9A 1452/4885SMN1; SMN2 4813/4885TSHR 1118/4885
US-20030220371-A1 Compounds and methods METAP2, METAP1, DNPEP RAB9A 1701/4885SMN1; SMN2 4479/4885TSHR 2316/4885

“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.