SCHEMBL18599002

SCHEMBL18599002

CCCCc1ccncc1C(C)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM6B O15054 2/20 0.43
KDM4C Q9H3R0 2/20 0.43
TRPV1 Q8NER1 6/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
ALDH1A1 P00352 2/20 0.42
NFKB1 P19838 2/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GABRP O00591 2/20 0.41
GABRD O14764 2/20 0.41
GABRA1 P14867 2/20 0.41
GABRB1 P18505 2/20 0.41
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
GABRA5 P31644 2/20 0.41
GABRA3 P34903 2/20 0.41
GABRA2 P47869 2/20 0.41
GABRB2 P47870 2/20 0.41

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
SCHEMBL4734614 0.90 CYP2E1 (0.43) KDM6BKDM4CTRPV1ALDH1A1PTGDR2
SCHEMBL4005290 0.87 GABRP (0.55) KDM6BKDM4CTRPV1NPC1RAB9A
SCHEMBL3818724 0.84 TDP1 (0.44) KDM6BKDM4CTRPV1NPC1RAB9A
SCHEMBL374104 0.81 TDP1 (0.51) KDM6BKDM4CTRPV1ALDH1A1GABRP
SCHEMBL4998464 0.81 KDM6B (0.51) KDM6BKDM4CGABRPGABRDGABRA1
SCHEMBL5002870 0.81 KDM6B (0.51) KDM6BKDM4CGABRPGABRDGABRA1
SCHEMBL5002411 0.81 KDM6B (0.51) KDM6BKDM4CGABRPGABRDGABRA1
SCHEMBL6072747 0.81 KDM6B (0.51) KDM6BKDM4CGABRPGABRDGABRA1
SCHEMBL4998341 0.81 KDM6B (0.51) KDM6BKDM4CGABRPGABRDGABRA1
SCHEMBL9879956 0.80 PTGDR2 (0.45) KDM6BKDM4CTRPV1PTGDR2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11192866-B2 Synthesis of tetracyclines and analogues thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2021-12-07 US disclosed
EP-3138831-B1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF HARVARD COLLEGE (US) 2020-07-08 EP disclosed
US-10669244-B2 Synthesis of tetracyclines and analogues thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2020-06-02 US disclosed
US-20190345116-A1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2019-11-14 US disclosed
US-9884830-B2 Synthesis of tetracyclines and analogues thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2018-02-06 US disclosed
EP-3138831-A1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF President and Fellows of Harvard College (US) 2017-03-08 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 (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-11192866-B2 Synthesis of tetracyclines and analogues thereof TET1, TET3, MYC KDM6B 2267/4885KDM4C 2646/4885TRPV1 4407/4885
US-20190345116-A1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF TET1, TET3, MYC KDM6B 2267/4885KDM4C 2646/4885TRPV1 4407/4885
US-10669244-B2 Synthesis of tetracyclines and analogues thereof TET1, TET3, MYC KDM6B 2267/4885KDM4C 2646/4885TRPV1 4407/4885

“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.