SCHEMBL3733145

SCHEMBL3733145

COc1ccc(I)cc1C=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.55
TSHR P16473 2/20 0.55
KDM4E B2RXH2 2/20 0.55
TDP1 Q9NUW8 1/20 0.55
ERN1 O75460 6/20 0.52
TUBB1 Q9H4B7 1/20 0.46
PRKDC P78527 2/20 0.46
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
TLR2 O60603 1/20 0.43
TLR1 Q15399 1/20 0.43
TLR6 Q9Y2C9 1/20 0.43
AOX1 Q06278 1/20 0.43
AR P10275 1/20 0.42
MCL1 Q07820 1/20 0.42
MAPT P10636 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 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
SCHEMBL31402282 1.00 ALDH1A1 (0.55) ALDH1A1TSHRKDM4ETDP1ERN1
SCHEMBL2664139 0.84 ALDH1A1 (0.63) ALDH1A1TSHRKDM4ETDP1ERN1
SCHEMBL274871 0.83 ALDH1A1 (0.61) ALDH1A1TSHRKDM4ETDP1ERN1
SCHEMBL26705583 0.83 TUBB1 (0.50) ALDH1A1TSHRKDM4ETDP1ERN1
SCHEMBL21558457 0.79 LMNA (0.50) ALDH1A1TSHRKDM4ETDP1ERN1
SCHEMBL21558730 0.79 ERN1 (0.47) ALDH1A1TSHRKDM4ETDP1ERN1
SCHEMBL15110816 0.78 ERN1 (0.50) ALDH1A1TSHRKDM4ETDP1ERN1
SCHEMBL419596 0.78 ALDH1A1 (0.57) ALDH1A1TSHRKDM4ETDP1ERN1
SCHEMBL172939 0.78 ALDH1A1 (0.71) ALDH1A1TSHRKDM4ETDP1ERN1
SCHEMBL29392394 0.78 ALDH1A1 (0.71) ALDH1A1TSHRKDM4ETDP1ERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2802558-B1 COMPOUNDS HAVING ANTIBACTERIAL ACTIVITY, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM CONSEJO NAC DE INVEST ES CIENTÍFICAS Y TÉCNICAS CONICET (AR) 2016-06-01 EP claimed
US-9255071-B2 Compounds having antibacterial activity, process for their preparation and pharmaceutical compositions comprising them CONSEJO NACIONAL DE INVESTIGACIONES CIENTIFICAS Y TÉCNICAS (CONICET) (AR) 2016-02-09 US claimed
US-20140357678-A1 COMPOUNDS HAVING ANTIBACTERIAL ACTIVITY, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM CONSEJO NACIONAL DE INVESTIGACIONES CIENTIFICAS Y TECNICAS (CONICET) (AR) 2014-12-04 US claimed
EP-2802558-A1 COMPOUNDS HAVING ANTIBACTERIAL ACTIVITY, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM CONSEJO NACIONAL DE INVESTIGACIONES CIENTIFICAS Y TÉCNICAS (CONICET) (AR) 2014-11-19 EP claimed
WO-2013105053-A1 COMPOUNDS HAVING ANTIBACTERIAL ACTIVITY, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM CONSEJO NACIONAL DE INVESTIGACIONES CIENTÍFICAS Y TÉCNICAS (CONICET) (AR) 2013-07-18 WO claimed
EP-3085688-B1 ADAMANTANE OR PINENE DERIVATIVES FOR USE IN THE TREATMENT OF CHLAMYDIALES INFECTIONS COMMISSARIAT ENERGIE ATOMIQUE (FR) 2020-08-19 EP disclosed
EP-3085688-B1 ADAMANTANE OR PINENE DERIVATIVES FOR USE IN THE TREATMENT OF CHLAMYDIALES INFECTIONS COMMISSARIAT ENERGIE ATOMIQUE (FR) 2020-08-19 EP disclosed
US-10039727-B2 Adamantane or pinene derivatives for use in the treatment of chlamydiales infections COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2018-08-07 US disclosed
US-10039727-B2 Adamantane or pinene derivatives for use in the treatment of chlamydiales infections COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2018-08-07 US disclosed
EP-2872490-B1 ANTIPROLIFERATIVE BENZO[B]AZEPIN-2-ONES HOFFMANN LA ROCHE (CH) 2018-02-07 EP disclosed
US-9629822-B2 Flavonoid based antiviral targets UNIVERSITY OF CENTRAL FLORIDA RESEARCH FOUNDATION, INC. (US) 2017-04-25 US disclosed
US-9611224-B2 Antiproliferative benzo [B] azepin-2-ones HOFFMANN-LA ROCHE INC. (US) 2017-04-04 US disclosed
US-6369074-B1 Aminomethylene substituted non-aromatic heterocycles and use as substance P antagonists PFIZER INC. 2002-04-09 US disclosed
US-20010023248-A1 Aminomethylene substituted non-aromatic heterocycles and use as substance P antagonists HOWARD HARRY R (US) 2001-09-20 US disclosed
EP-0675886-B1 AMINOMETHYLENE SUBSTITUTED NON-AROMATIC HETEROCYCLES AND USE AS SUBSTANCE P ANTAGONISTS PFIZER (US) 2000-07-05 EP disclosed
US-5854262-A Aminomethylene substituted non-aromatic heterocycles and use as substance P antagonists PFIZER INC. (US) 1998-12-29 US disclosed
EP-0806423-A1 Aminomethylene substituted non-aromatic heterocycles and use as substance p antagonists PFIZER INC. (US) 1997-11-12 EP disclosed
EP-0675886-A1 AMINOMETHYLENE SUBSTITUTED NON-AROMATIC HETEROCYCLES AND USE AS SUBSTANCE P ANTAGONISTS PFIZER INC. (US) 1995-10-11 EP disclosed
CN-1092771-A The non-aromatic heterocycles that aminomethylene replaces PFIZER (US) 1994-09-28 CN disclosed
WO-1994013663-A1 AMINOMETHYLENE SUBSTITUTED NON-AROMATIC HETEROCYCLES AND USE AS SUBSTANCE P ANTAGONISTS PFIZER INC. (US) 1994-06-23 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 (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-20010023248-A1 Aminomethylene substituted non-aromatic heterocycles and use as substance P antagonists NPY1R, OPRK1, OPRL1 ALDH1A1 856/4885TSHR 1323/4885KDM4E 1271/4885
US-10039727-B2 Adamantane or pinene derivatives for use in the treatment of chlamydiales infections ADRA1A, ADRA1B, ADRA1D ALDH1A1 30/4885TSHR 4466/4885KDM4E 4873/4885
US-20140357678-A1 COMPOUNDS HAVING ANTIBACTERIAL ACTIVITY, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM C5, CBR3, C1R ALDH1A1 1871/4885TSHR 224/4885KDM4E 2424/4885

“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.