SCHEMBL6437580

SCHEMBL6437580

NC(N)=Nc1ccc(C(F)(F)F)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 5/20 1.00
HTR3B O95264 5/20 1.00
HTR3A P46098 5/20 1.00
HTR3D Q70Z44 5/20 1.00
HTR3C Q8WXA8 5/20 1.00
PLAU P00749 5/20 1.00
POLB P06746 1/20 0.64
SLC22A2 O15244 6/20 0.63
SLC22A1 O15245 6/20 0.63
SLC22A3 O75751 6/20 0.63
PRSS1 P07477 1/20 0.63
ACR P10323 1/20 0.63
NOS1 P29475 5/20 0.61
NOS3 P29474 3/20 0.61
ALDH1A1 P00352 2/20 0.58
LMNA P02545 2/20 0.58
NOS2 P35228 2/20 0.58
BLM P54132 2/20 0.58
NPSR1 Q6W5P4 2/20 0.58
CYP2C19 P33261 2/20 0.58

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
SCHEMBL19038557 0.84 HTR3E (0.71) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL1387842 0.78 HTR3E (0.63) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL6858736 0.77 SLC22A2 (1.00) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL11884390 0.77 ITGB3 (0.71) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8398110 0.77 MEN1 (0.66) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL2464879 0.75 HTR3E (1.00) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL1387705 0.74 NOS1 (0.58) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8392952 0.74 HTR3E (0.58) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7811970 0.73 SLC22A2 (1.00) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL28296323 0.72 MEN1 (0.66) HTR3EHTR3BHTR3AHTR3DHTR3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050026836-A1 Composition for the treatment of damaged tissue DACK KEVIN NEIL (GB) 2005-02-03 US disclosed
US-20030199440-A1 Composition for the treatment of damaged tissue PFIZER INC. 2003-10-23 US disclosed
EP-1242120-A2 COMBINATIONS OF GROWTH FACTORS AND I:UPA OR I:MMP FOR THE TREATMENT OF DAMAGED TISSUE Pfizer Limited (GB) 2002-09-25 EP disclosed
WO-2001049309-A2 COMBINATIONS OF GROWTH FACTORS AND I: UPA OR I: MMP FOR THE TREATMENT OF DAMAGED TISSUE PFIZER LIMITED (GB) 2001-07-12 WO disclosed
US-3976643-A FROM AN ANILINE AND CYANAMIDE WILLIAM H. RORER, INC. (US) 1976-08-24 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 (2 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-20030199440-A1 Composition for the treatment of damaged tissue MMP1, SERPINE1, COL14A1 HTR3E 4203/4885HTR3B 4041/4885HTR3A 4247/4885
US-20050026836-A1 Composition for the treatment of damaged tissue MMP1, SERPINE1, COL14A1 HTR3E 4203/4885HTR3B 4041/4885HTR3A 4247/4885

“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.