SCHEMBL6999879

SCHEMBL6999879

COc1cc2c(cc1[N+](=O)[O-])CCC(=O)C2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
GAA P10253 1/20 0.44
TDP1 Q9NUW8 2/20 0.43
SIRT6 Q8N6T7 1/20 0.42
RAB9A P51151 2/20 0.41
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 4/20 0.40
CYP3A4 P08684 3/20 0.40
NPC1 O15118 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALOX15 P16050 1/20 0.40
PRKDC P78527 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HTT P42858 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
TUBB4A P04350 2/20 0.37
TUBB P07437 2/20 0.37

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
SCHEMBL7000490 1.00 SMN1; SMN2 (0.44) SMN1; SMN2GAATDP1SIRT6RAB9A
SCHEMBL2060778 0.92 TDP1 (0.47) SMN1; SMN2GAATDP1SIRT6RAB9A
SCHEMBL8113298 0.86 HSD17B1 (0.37) SMN1; SMN2GAATDP1SIRT6RAB9A
SCHEMBL2241521 0.82 GAA (0.61) SMN1; SMN2GAATDP1LMNAMAPT
SCHEMBL2060925 0.80 MEN1 (0.43) SMN1; SMN2GAATDP1SIRT6RAB9A
SCHEMBL2061774 0.80 GAA (0.50) SMN1; SMN2GAATDP1SIRT6RAB9A
SCHEMBL2574136 0.78 SIRT6 (0.57) SMN1; SMN2GAATDP1SIRT6RAB9A
SCHEMBL2062089 0.78 HTR2A (0.54) TDP1SIRT6RAB9AALDH1A1LMNA
SCHEMBL7000772 0.77 TDP1 (0.44) TDP1SIRT6ALDH1A1LMNAMAPT
SCHEMBL7002049 0.77 TDP1 (0.44) TDP1SIRT6RAB9AALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180104242-A1 4-(2-AMINO-TETRAHYDRONAPHTHALENYL)PYRIMIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER, CONTAINING SAME AS ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2018-04-19 US disclosed
EP-1015437-B1 BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND THEIR USE IN PHARMACEUTICALS SCHERING AG (DE) 2003-12-03 EP disclosed
US-6365736-B1 TREATMENT OF NERVOUS SYSTEM DISORDERS, CARDIOVASCULAR DISORDERS AND FOR ACTIVITY AS NO-SYNTHASES (NOS) INHIBITORS. SCHERING AKTIENGESELLSCHAFT (DE) 2002-04-02 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-20180104242-A1 4-(2-AMINO-TETRAHYDRONAPHTHALENYL)PYRIMIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER, CONTAINING SAME AS ACTIVE INGREDIENT ALK, NPM1, EML4 SMN1; SMN2 3920/4885GAA 4011/4885TDP1 934/4885

“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.