SCHEMBL2855034

SCHEMBL2855034

CC(C)(C)c1ccc(-c2nc(N)n[nH]2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.62
KDM4E B2RXH2 6/20 0.62
ALDH1A1 P00352 5/20 0.61
KMT2A Q03164 2/20 0.61
CYP1A2 P05177 2/20 0.61
MEN1 O00255 1/20 0.61
TP53 P04637 3/20 0.57
MITF O75030 1/20 0.57
NPC1 O15118 4/20 0.55
RAB9A P51151 4/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
TSHR P16473 2/20 0.55
HSD17B10 Q99714 4/20 0.54
GAA P10253 2/20 0.54
HTT P42858 1/20 0.54
HPGD P15428 2/20 0.49
POLB P06746 3/20 0.46
HDAC6 Q9UBN7 1/20 0.46
ATM Q13315 1/20 0.45
PIK3CD O00329 1/20 0.44

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
SCHEMBL8726592 0.84 ALPL (0.61) ALPLKDM4EALDH1A1KMT2ACYP1A2
SCHEMBL14003276 0.81 SMN1; SMN2 (0.57) ALPLKDM4EALDH1A1KMT2ACYP1A2
SCHEMBL12599743 0.81 NR1H2 (0.58) KDM4EALDH1A1KMT2ATP53MITF
SCHEMBL17279681 0.81 NR1H2 (0.58) KDM4EALDH1A1KMT2ATP53MITF
SCHEMBL5792174 0.81 ALPL (0.67) ALPLKDM4EALDH1A1KMT2ACYP1A2
SCHEMBL8726601 0.80 ALPL (0.71) ALPLKDM4EALDH1A1KMT2ACYP1A2
SCHEMBL421548 0.80 HTT (0.52) ALPLKDM4EALDH1A1KMT2ACYP1A2
SCHEMBL7819474 0.77 ALPL (1.00) ALPLKDM4EALDH1A1KMT2ACYP1A2
SCHEMBL21359662 0.77 ALPL (0.67) ALPLKDM4EALDH1A1KMT2ACYP1A2
SCHEMBL8731546 0.77 KDM4E (0.92) ALPLKDM4EALDH1A1KMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1195429-B1 Automatic dishwashing process and automatic dishwashing compositions having improved anti-corrosion characteristics HENKEL KGAA (DE) 2006-06-07 EP claimed
CN-114787288-B Colorant for heat transfer fluid and composition containing same KD精细化工有限公司 2024-02-13 CN disclosed
US-20230383160-A1 HEAT TRANSFER FLUID COMPOSITION WITH IMPROVED THERMAL STABILITY KD FINECHEM CO., LTD. (KR) 2023-11-30 US disclosed
US-20230383163-A1 COOLING LIQUID COMPOSITION FOR ELECTRIC VEHICLE KD FINECHEM CO., LTD. (KR) 2023-11-30 US disclosed
EP-4239034-A1 HEAT TRANSFER FLUID COMPOSITION WITH IMPROVED THERMAL STABILITY KD Finechem Co., Ltd. (KR) 2023-09-06 EP disclosed
EP-4239033-A1 COOLING LIQUID COMPOSITION FOR ELECTRIC VEHICLE KD Finechem Co., Ltd. (KR) 2023-09-06 EP disclosed
CN-116601262-A Heat transfer fluid compositions with improved thermal stability KD精细化工有限公司 2023-08-15 CN disclosed
CN-116472324-A Cooling liquid composition for electric automobile KD精细化工有限公司 2023-07-21 CN disclosed
US-20230053517-A1 COLORANT FOR HEAT TRANSFER FLUID, AND COMPOSITION COMPRISING SAME KD FINECHEM CO., LTD. (KR) 2023-02-23 US disclosed
US-20220363697-A1 COLORANT FOR HEAT TRANSFER FLUID, AND COMPOSITION COMPRISING SAME KD FINECHEM CO., LTD. (KR) 2022-11-17 US disclosed
EP-4056663-A2 COLORANT FOR HEAT TRANSFER FLUID, AND COMPOSITION COMPRISING SAME KD Finechem Co., Ltd. (KR) 2022-09-14 EP disclosed
CN-114787288-A Colorant for heat transfer fluid and composition comprising same KD精细化工有限公司 2022-07-22 CN disclosed
WO-2022092490-A1 COOLING LIQUID COMPOSITION FOR ELECTRIC VEHICLE 주식회사 케이디파인켐 2022-05-05 WO disclosed
WO-2022092491-A1 HEAT TRANSFER FLUID COMPOSITION WITH IMPROVED THERMAL STABILITY 주식회사 케이디파인켐 2022-05-05 WO disclosed
US-20190161700-A1 FUNCTIONAL FLUID COMPOSITIONS KUKDONG R&D CENTER (KR) 2019-05-30 US disclosed
US-20190161699-A1 FUNCTIONAL FLUID COMPOSITIONS KUKDONG R&D CENTER (KR) 2019-05-30 US disclosed
EP-2159274-B1 BRAKE FLUID CONTAINING TETRAZOLE CHIYODA CHEMICAL CO LTD (JP) 2013-04-17 EP disclosed
US-8357642-B2 Functional fluid CHIYODA CHEMICAL CO., LTD. (JP) 2013-01-22 US disclosed
US-20100137174-A1 FUNCTIONAL FLUID CHIYODA CHEMICAL CO., LTD. (JP) 2010-06-03 US disclosed
EP-2159274-A1 FUNCTIONAL FLUID Chiyoda Chemical Co. Ltd (JP) 2010-03-03 EP 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-20220363697-A1 COLORANT FOR HEAT TRANSFER FLUID, AND COMPOSITION COMPRISING SAME TRMT1, GFPT1, TRMT1L ALPL 3896/4885KDM4E 4751/4885ALDH1A1 574/4885

“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.