SCHEMBL853172

SCHEMBL853172

Cc1cnc2[nH]c(N)nc(=O)c2n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 3/20 0.40
HSD17B10 Q99714 2/20 0.40
LMNA P02545 1/20 0.40
GLA P06280 1/20 0.40
PMP22 Q01453 1/20 0.40
PDK2 Q15119 1/20 0.38
PDK4 Q16654 1/20 0.38
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GAA P10253 1/20 0.36
FABP6 P51161 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
KMT2A Q03164 1/20 0.33
NOS1 P29475 1/20 0.33
XDH P47989 1/20 0.33
PNP P00491 1/20 0.33
AKR1B1 P15121 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
Pterine SCHEMBL28301534 0.92 ALDH1A1 (0.36) ALDH1A1KDM4EHSD17B10LMNAGLA
SCHEMBL7682920 0.86 KDM4E (0.47) ALDH1A1KDM4EHSD17B10LMNAGLA
SCHEMBL24629541 0.82 PDK2 (0.40) ALDH1A1KDM4EPDK2PDK4HPGD
SCHEMBL22497884 0.79 ALDH1A1 (0.40) ALDH1A1KDM4EHSD17B10LMNAGLA
SCHEMBL3528784 0.79 ALDH1A1 (0.40) ALDH1A1KDM4EHSD17B10LMNAGLA
SCHEMBL3526052 0.79 KDM4E (0.40) ALDH1A1KDM4EHSD17B10LMNAGLA
SCHEMBL3528804 0.79 MAPK1 (0.41) ALDH1A1KDM4EHSD17B10LMNAGLA
SCHEMBL11103941 0.79 KDM4E (0.37) ALDH1A1KDM4EHSD17B10LMNAGLA
SCHEMBL398502 0.77 KDM4E (0.38) ALDH1A1KDM4EHSD17B10LMNAGLA
SCHEMBL14403234 0.77 NOS1 (0.40) ALDH1A1KDM4EHSD17B10LMNAGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109946412-B Kit for detecting spectrum of humoral pterin and use thereof 上海产业技术研究院 2021-10-15 CN claimed
CN-109946412-A A kind of body fluid pterin spectrum detection kit and its use 上海产业技术研究院 2019-06-28 CN claimed
US-4758312-A Adding colorless electrochemically active compound having positive reduction potential NALCO CHEMICAL COMPANY (US) 1988-07-19 US claimed
EP-3554479-B1 A METHOD FOR PRODUCING BEADS AGRICULTURE AND FOOD DEV AUTHORITY TEAGASC (IE) 2022-02-16 EP disclosed
CN-109946412-B Kit for detecting spectrum of humoral pterin and use thereof 上海产业技术研究院 2021-10-15 CN disclosed
US-20200276127-A1 METHOD FOR PRODUCING BEADS AGRICULTURE AND FOOD DEVELOPMENT AUTHORITY (TEAGASC) (IE) 2020-09-03 US disclosed
EP-3554479-A1 A METHOD FOR PRODUCING BEADS Agriculture and Food Development Authority (TEAGASC) (IE) 2019-10-23 EP disclosed
CN-109946412-A A kind of body fluid pterin spectrum detection kit and its use 上海产业技术研究院 2019-06-28 CN disclosed
WO-2018114971-A1 A METHOD FOR PRODUCING BEADS AGRICULTURE AND FOOD DEVELOPMENT AUTHORITY (TEAGASC) (IE) 2018-06-28 WO disclosed
EP-2432314-B1 MOUSE MODELS CARRYING A KNOCK-OUT MUTATION OF THE QPCTL-GENE PROBIODRUG AG (DE) 2017-12-20 EP disclosed
US-20160368944-A1 LINKED PURINE PTERIN HPPK INHIBITORS USEFUL AS ANTIBACTERIAL AGENTS US HEALTH (US) 2016-12-22 US disclosed
WO-2001000842-A2 CORYNEBACTERIUM GLUTAMICUM GENES ENCODING PROTEINS INVOLVED IN HOMEOSTASIS AND ADAPTATION BASF AKTIENGESELLSCHAFT (US) 2001-01-04 WO disclosed
WO-2001000844-A2 CORYNEBACTERIUM GLUTAMICUM GENES ENCODING PROTEINS INVOLVED IN CARBON METABOLISM AND ENERGY PRODUCTION BASF AKTIENGESELLSCHAFT (US) 2001-01-04 WO disclosed
WO-2001000804-A2 CORYNEBACTERIUM GLUTAMICUM GENES ENCODING STRESS, RESISTANCE AND TOLERANCE PROTEINS BASF AKTIENGESELLSCHAFT (US) 2001-01-04 WO disclosed
WO-2000004163-A9 TETRAHYDROFOLATE METABOLISM ENZYMES DU PONT (US) 2000-07-20 WO disclosed
WO-2000023448-A1 NOVEL PTERIN ANTINEOPLASTIC AGENTS MOHENO PHILLIP B B (US) 2000-04-27 WO disclosed
WO-2000004163-A1 TETRAHYDROFOLATE METABOLISM ENZYMES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2000-01-27 WO disclosed
US-4758312-A Adding colorless electrochemically active compound having positive reduction potential NALCO CHEMICAL COMPANY (US) 1988-07-19 US disclosed
EP-0237738-A2 Method for in situ corrosion detection using electrochemically active compounds NALCO CHEMICAL COMPANY (US) 1987-09-23 EP disclosed
US-4683035-A Method for in situ corrosion detection using electrochemically active compounds NALCO CHEMICAL COMPANY (US) 1987-07-28 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 (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-20160368944-A1 LINKED PURINE PTERIN HPPK INHIBITORS USEFUL AS ANTIBACTERIAL AGENTS PDXK, HPRT1, PLPBP ALDH1A1 3443/4885KDM4E 3953/4885HSD17B10 3171/4885

“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.