SCHEMBL9938138

SCHEMBL9938138

O=[N+]([O-])c1cc(OCCC2CCNCC2)ccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.45
ITGB3 P05106 7/20 0.44
ITGA2B P08514 7/20 0.44
HTR6 P50406 1/20 0.40
CHEK2 O96017 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
PRKCQ Q04759 1/20 0.39
VCAM1 P19320 1/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
HTR3A P46098 1/20 0.39
KCNH2 Q12809 1/20 0.39
LMNA P02545 1/20 0.38
RAF1 P04049 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL4321291 0.82 KDM4E (0.48) HPGDITGB3ITGA2BCHEK2ALDH1A1
Hydrochloric Acid SCHEMBL4156097 0.80 KDM4E (0.47) HPGDITGB3ITGA2BCHEK2ALDH1A1
SCHEMBL7206840 0.79 MAPT (0.47) HPGDVCAM1ALDH1A1KDM4EPOLB
SCHEMBL2546524 0.76 HPGD (0.47) HPGDCYP3A4ALDH1A1KDM4ELMNA
SCHEMBL9513657 0.74 MAPT (0.56) HPGDVCAM1ALDH1A1LMNARAF1
SCHEMBL5458467 0.74 VCAM1 (0.49) HPGDVCAM1ALDH1A1LMNARAF1
SCHEMBL14290088 0.74 MAPT (0.64) HPGDCYP2C9VCAM1ALDH1A1LMNA
SCHEMBL4326032 0.74 NPY1R (0.50) ITGB3ITGA2BCHEK2
SCHEMBL2548484 0.73 HPGD (0.50) HPGDCYP3A4ALDH1A1KDM4EMAPT
SCHEMBL2890944 0.73 MAPT (0.43) HPGDITGB3ITGA2BCYP3A4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2651416-B1 COMPOUNDS USEFUL FOR TREATING AIDS ABIVAX (FR) 2018-05-09 EP disclosed
CN-103415290-B Compounds for the treatment of AIDS ABIVAX公司 2016-09-14 CN disclosed
US-9061999-B2 Compounds useful for treating AIDS ABIVAX (FR) 2015-06-23 US disclosed
EP-2651416-A1 COMPOUNDS USEFUL FOR TREATING AIDS Splicos (FR) 2013-10-23 EP disclosed
US-20130267703-A1 COMPOUNDS USEFUL FOR TREATING AIDS SPLICOS (FR) 2013-10-10 US disclosed
WO-2012080953-A1 COMPOUNDS USEFUL FOR TREATING AIDS SPLICOS (FR) 2012-06-21 WO disclosed
EP-2465502-A1 Compounds useful for treating AIDS Société Splicos (FR) 2012-06-20 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-20130267703-A1 COMPOUNDS USEFUL FOR TREATING AIDS CBR3, CBR1, CCR10 HPGD 3184/4885ITGB3 829/4885ITGA2B 2332/4885

“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.