SCHEMBL7852879

SCHEMBL7852879

O=C(CCc1c[nH]c2ccccc12)NCCc1ccccc1

nearest known ligand 0.84

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GFER P55789 1/20 0.84
▸ MEN1 O00255 3/20 0.72
▸ KMT2A Q03164 3/20 0.72
▸ MTNR1A P48039 2/20 0.67
▸ AANAT Q16613 1/20 0.66
▸ MAPT P10636 2/20 0.65
▸ ALDH1A1 P00352 2/20 0.65
▸ GAA P10253 1/20 0.65
▸ BCHE P06276 1/20 0.64
▸ ACHE P22303 1/20 0.64
▸ NPC1 O15118 1/20 0.62
▸ RAB9A P51151 1/20 0.62
▸ LMNA P02545 2/20 0.62
▸ SMN1; SMN2 Q16637 1/20 0.62
▸ CYP1A2 P05177 1/20 0.61
▸ PKM P14618 1/20 0.61
▸ TSHR P16473 1/20 0.61
▸ CYP2C19 P33261 1/20 0.61
▸ BLM P54132 1/20 0.61

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
SCHEMBL9117842 0.95 MEN1 (0.76) GFERMEN1KMT2AMTNR1AAANAT
SCHEMBL7849267 0.92 GFER (0.72) GFERMEN1KMT2AMTNR1AAANAT
SCHEMBL7677886 0.92 MEN1 (0.84) GFERMEN1KMT2AMTNR1AAANAT
SCHEMBL12009647 0.91 GFER (1.00) GFERMEN1KMT2AMTNR1AAANAT
SCHEMBL7850949 0.90 GFER (0.80) GFERMEN1KMT2AMTNR1AAANAT
SCHEMBL7843167 0.90 GFER (0.80) GFERMEN1KMT2AMTNR1AAANAT
SCHEMBL7846928 0.90 GFER (0.80) GFERMEN1KMT2AMTNR1AAANAT
SCHEMBL7838803 0.89 LMNA (0.76) GFERMEN1KMT2AMAPTALDH1A1
SCHEMBL27334858 0.88 ALDH1A1 (0.76) GFERMEN1KMT2AAANATALDH1A1
SCHEMBL7852138 0.87 GFER (0.69) GFERMEN1KMT2AMTNR1AAANAT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1750691-B1 COMPOUNDS FOR TREATMENT OF AIDS AND OTHER DISEASES NOVAREMED LTD (IL) 2016-08-10 — — EP disclosed
US-8309606-B2 Compounds for use in the treatment of autoimmune diseases, immuno-allergical diseases and organ or tissue transplantation rejection NOVAREMED LIMITED (IL) 2012-11-13 — — US disclosed
US-8309606-B2 Compounds for use in the treatment of autoimmune diseases, immuno-allergical diseases and organ or tissue transplantation rejection NOVAREMED LIMITED (IL) 2012-11-13 — — US disclosed
US-8252843-B2 Compounds for the treatment of AIDS and other viral diseases NOVAREMED LIMITED (IL) 2012-08-28 — — US disclosed
US-8252843-B2 Compounds for the treatment of AIDS and other viral diseases NOVAREMED LIMITED (IL) 2012-08-28 — — US disclosed
US-20100331383-A1 COMPOUNDS FOR THE TREATMENT OF AIDS AND OTHER VIRAL DISEASES NOVAREMED LIMITED (IL) 2010-12-30 — — US disclosed
US-20100331383-A1 COMPOUNDS FOR THE TREATMENT OF AIDS AND OTHER VIRAL DISEASES NOVAREMED LIMITED (IL) 2010-12-30 — — US disclosed
US-7754771-B2 Compounds for the treatment of AIDS and other viral diseases NOVAREMED LIMITED (IL) 2010-07-13 — — US disclosed
US-7754771-B2 Compounds for the treatment of AIDS and other viral diseases NOVAREMED LIMITED (IL) 2010-07-13 — — US disclosed
US-20100069454-A1 Novel compounds for use in the treatment of autoimmune diseases, immuno-allergical diseases and organ or tissue transplantation rejection NOVAREMED LIMITED (IL) 2010-03-18 — — US disclosed
US-7674829-B2 Compounds for the treatment of AIDS and other viral diseases NOVAREMED LIMITED (IL) 2010-03-09 — — US disclosed
US-7674829-B2 Compounds for the treatment of AIDS and other viral diseases NOVAREMED LIMITED (IL) 2010-03-09 — — US disclosed
US-7642290-B2 lupus erythematosus; enoephalomyelitis; graft-versus-host disease NOVAREMED LIMITED (IL) 2010-01-05 — — US disclosed
US-7642290-B2 lupus erythematosus; enoephalomyelitis; graft-versus-host disease NOVAREMED LIMITED (IL) 2010-01-05 — — US disclosed
EP-1140914-A1 NON-PEPTIDE NK1 RECEPTORS ANTAGONISTS WARNER-LAMBERT COMPANY (US) 2001-10-10 — — EP disclosed
WO-2000037462-A1 NON-PEPTIDE NK1 RECEPTORS ANTAGONISTS WARNER-LAMBERT COMPANY (US) 2000-06-29 — — WO disclosed
US-5556874-A ENZYME INHIBITORS AS ANTICARCINOGENIC AGENTS WARNER LAMBERT COMPANY (US) 1996-09-17 — — US disclosed
US-5464861-A Anticarcinogenic agents WARNER-LAMBERT (US) 1995-11-07 — — US disclosed
EP-0654024-A1 2-THIOINDOLES (SELENOINDOLES) AND RELATED DISULFIDES (SELENIDES) WHICH INHIBIT PROTEIN TYROSINE KINASES AND WHICH HAVE ANTITUMOR PROPERTIES WARNER-LAMBERT COMPANY (US) 1995-05-24 — — EP disclosed
WO-1994003427-A1 2-THIOINDOLES (SELENOINDOLES) AND RELATED DISULFIDES (SELENIDES) WHICH INHIBIT PROTEIN TYROSINE KINASES AND WHICH HAVE ANTITUMOR PROPERTIES WARNER-LAMBERT COMPANY (US) 1994-02-17 — — WO 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-20100069454-A1 Novel compounds for use in the treatment of autoimmune diseases, immuno-allergical diseases and organ or tissue transplantation rejection TSLP, HLA-DRB1, MRGPRX2 GFER 1943/4885MEN1 3418/4885KMT2A 3181/4885
US-20100331383-A1 COMPOUNDS FOR THE TREATMENT OF AIDS AND OTHER VIRAL DISEASES CCR4, CD4, CCR5 GFER 2306/4885MEN1 2032/4885KMT2A 1683/4885

“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.

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